data_[Ce4P12O36]
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 [C222_1]
_cell_length_a [8.5959]
_cell_length_b [11.2138]
_cell_length_c [7.2797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [Ce(PO3)3]
_chemical_formula_sum '[Ce4 P12 O36]'
_cell_volume [701.7105]
_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  4  0.1245  0.5000  0.0000  1
  P  P1  8  0.0094  0.1740  0.5450  1
  P  P2  4  0.2484  0.0000  0.0000  1
  O  O3  8  0.0204  0.3043  0.9569  1
  O  O4  8  0.1395  0.1093  0.0476  1
  O  O5  8  0.1529  0.1277  0.4558  1
  O  O6  8  0.1533  0.4765  0.3320  1
  O  O7  4  0.0000  0.1206  0.7500  1
]