data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         6.6858000000
_cell_length_b         6.6858000000
_cell_length_c        24.1470000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma        90.0000
_cell_volume          1079.369008
_space_group_crystal_system tetragonal
_space_group_IT_number 76
_space_group_name_H-M_alt 'P4_1'
_space_group_name_Hall 'P 4w'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,x,-3/4+z'
  '-x,-y,-1/2+z'
  'y,-x,-1/4+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca     Ca     0.13740000000000     0.23130000000000     0.00000000000000
Ca     Ca     0.15910000000000     0.54470000000000     0.24262000000000
Ca     Ca     0.78950000000000     0.73370000000000     0.13802000000000
Ca     Ca     0.36270000000000     0.10540000000000     0.13548000000000
P      P      0.62130000000000     0.30780000000000     0.02345000000000
P      P      0.86730000000000     0.25340000000000     0.12431000000000
P      P      0.04630000000000     0.71480000000000     0.01863000000000
P      P      0.28730000000000     0.64620000000000     0.12074000000000
O      O      0.46070000000000     0.15840000000000     0.04260000000000
O      O      0.77270000000000     0.19840000000000     0.98670000000000
O      O      0.53030000000000     0.49210000000000     0.99990000000000
O      O      0.73950000000000     0.37760000000000     0.07890000000000
O      O      0.73640000000000     0.08730000000000     0.14690000000000
O      O      0.05190000000000     0.17690000000000     0.09530000000000
O      O      0.89940000000000     0.40880000000000     0.16950000000000
O      O      0.85370000000000     0.79070000000000     0.04330000000000
O      O      0.18550000000000     0.87950000000000     0.99890000000000
O      O      0.02290000000000     0.55420000000000     0.97510000000000
O      O      0.15820000000000     0.58730000000000     0.06660000000000
O      O      0.34500000000000     0.45260000000000     0.14740000000000
O      O      0.46220000000000     0.77560000000000     0.10150000000000
O      O      0.14740000000000     0.77220000000000     0.15720000000000
