data_stdin
_audit_creation_method 'critic2-4f1eba8'
_cell_length_a         9.3973000000
_cell_length_b         9.3973000000
_cell_length_c         6.8782000000
_cell_angle_alpha        90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma       120.0000
_cell_volume           526.031334
_space_group_crystal_system hexagonal
_space_group_IT_number 176
_space_group_name_H-M_alt 'P6_3/m'
_space_group_name_Hall '-P 6c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
  'x-y,x,-1/2+z'
  '-x+y,-x,-1/2-z'
  '-y,x-y,z'
  'y,-x+y,-z'
  '-x,-y,-1/2+z'
  'x,y,-1/2-z'
  '-x+y,-x,z'
  'x-y,x,-z'
  'y,-x+y,-1/2+z'
  '-y,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     0.66666667000000     0.33333333000000     0.00100000000000
Ca     Ca     0.99288000000000     0.24227000000000     0.25000000000000
P      P      0.36895000000000     0.39850000000000     0.25000000000000
O      O      0.48490000000000     0.32730000000000     0.25000000000000
O      O      0.46670000000000     0.58750000000000     0.25000000000000
O      O      0.25750000000000     0.34210000000000     0.07050000000000
F      F      0.00000000000000     0.00000000000000     0.25000000000000
