data_[Ce10P10O4]
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 [13.3902]
_cell_length_b [3.9739]
_cell_length_c [9.8461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5P5O2]
_chemical_formula_sum '[Ce10 P10 O4]'
_cell_volume [501.0990]
_cell_formula_units_Z [2]
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  0.1024  0.0000  0.3784  1.0
  Ce  Ce1  4  0.1572  0.5000  0.7910  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  P  P3  4  0.1572  0.5000  0.1234  1.0
  P  P4  4  0.2498  0.5000  0.3490  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  O  O6  4  0.0570  0.0000  0.8034  1.0
]