data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a        21.0220000000
_cell_length_b        21.0220000000
_cell_length_c         9.5449000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume          4218.125007
_space_group_crystal_system tetragonal
_space_group_IT_number 125
_space_group_name_H-M_alt 'P4/nbm'
_space_group_name_Hall 'P 4 2 -1ab'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x,z'
  '-x,-y,z'
  'y,-x,z'
  'x,-y,-z'
  '-y,-x,-z'
  '-x,y,-z'
  'y,x,-z'
  '-1/2-x,-1/2-y,-z'
  '-1/2+y,-1/2-x,-z'
  '-1/2+x,-1/2+y,-z'
  '-1/2-y,-1/2+x,-z'
  '-1/2-x,-1/2+y,z'
  '-1/2+y,-1/2+x,z'
  '-1/2+x,-1/2-y,z'
  '-1/2-y,-1/2-x,z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
La     La     0.50000000000000     0.82046000000000     0.50000000000000
Na     Na     0.75000000000000     0.75000000000000     0.00000000000000
Cl     Cl     0.57910000000000     0.57910000000000     0.00000000000000
Cl     Cl     0.46370000000000     0.85800000000000     0.99270000000000
Cl     Cl     0.40350000000000     0.90350000000000     0.02800000000000
Na     Na     0.67515000000000     0.82485000000000     0.47300000000000
Na     Na     0.82150000000000     0.67850000000000     0.03470000000000
Na     Na     0.66767000000000     0.66767000000000     0.00000000000000
Na     Na     0.50000000000000     0.50000000000000     0.78370000000000
Na     Na     0.41869000000000     0.91869000000000     0.78310000000000
O      O      0.60080000000000     0.77150000000000     0.60890000000000
O      O      0.73910000000000     0.76090000000000     0.34580000000000
H      H      0.76550000000000     0.78320000000000     0.27800000000000
H      H      0.71660000000000     0.72960000000000     0.29010000000000
O      O      0.64800000000000     0.72440000000000     0.79150000000000
O      O      0.41780000000000     0.81000000000000     0.69800000000000
O      O      0.38080000000000     0.75860000000000     0.88870000000000
O      O      0.41180000000000     0.91180000000000     0.48420000000000
O      O      0.47360000000000     0.89840000000000     0.29860000000000
N      N      0.49210000000000     0.70530000000000     0.65250000000000
C      C      0.42780000000000     0.92780000000000     0.35640000000000
C      C      0.60010000000000     0.73930000000000     0.72160000000000
C      C      0.53590000000000     0.71520000000000     0.77190000000000
H      H      0.54170000000000     0.67460000000000     0.82290000000000
H      H      0.51710000000000     0.74650000000000     0.83760000000000
C      C      0.40640000000000     0.76020000000000     0.77070000000000
C      C      0.42730000000000     0.69730000000000     0.70370000000000
H      H      0.42570000000000     0.66260000000000     0.77370000000000
H      H      0.39860000000000     0.68620000000000     0.62520000000000
C      C      0.51340000000000     0.64740000000000     0.57400000000000
H      H      0.49890000000000     0.60880000000000     0.62400000000000
H      H      0.56040000000000     0.64650000000000     0.57000000000000
