data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         7.1080000000
_cell_length_b         4.9470000000
_cell_length_c        11.0320000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume           387.921261
_space_group_crystal_system orthorhombic
_space_group_IT_number 38
_space_group_name_H-M_alt 'Amm2'
_space_group_name_Hall 'A 2 -2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,-z'
  'x,-y,z'
  'x,y,-z'
  '-1/2+x,y,-1/2+z'
  '-1/2+x,-y,-1/2-z'
  '-1/2+x,-y,-1/2+z'
  '-1/2+x,y,-1/2-z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca     Ca     0.99600000000000     0.50000000000000     0.21650000000000
Na     Na     0.92630000000000     0.00000000000000     0.00000000000000
Na     Na     0.61220000000000     0.50000000000000     0.00000000000000
C      C      0.16970000000000     0.00000000000000     0.29610000000000
O      O      0.07420000000000     0.00000000000000     0.19850000000000
O      O      0.21520000000000     0.22610000000000     0.34560000000000
C      C      0.22530000000000     0.50000000000000     0.00000000000000
O      O      0.04150000000000     0.50000000000000     0.00000000000000
O      O      0.31110000000000     0.50000000000000     0.10130000000000
