data_[Ce12P12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6791]
_cell_length_b [11.8652]
_cell_length_c [6.9708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3P3O]
_chemical_formula_sum '[Ce12 P12 O4]'
_cell_volume [632.4181]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Ce  Ce0  8  0.1975  0.3377  0.7290  1
  Ce  Ce1  4  0.1126  0.0000  0.7951  1
  P  P2  4  0.0000  0.1659  0.5000  1
  P  P3  4  0.0000  0.2279  0.0000  1
  P  P4  4  0.0863  0.5000  0.3898  1
  O  O5  4  0.1857  0.0000  0.1373  1
]