data_[Ce10P8C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [8.9332]
_cell_length_b [8.9332]
_cell_length_c [5.7253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Ce5P4C]
_chemical_formula_sum '[Ce10 P8 C2]'
_cell_volume [456.8856]
_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  8  0.0941  0.2817  0.9997  1.0
  Ce  Ce1  2  0.0000  0.0000  0.4745  1.0
  P  P2  8  0.0935  0.3021  0.4994  1.0
  C  C3  2  0.0000  0.0000  0.0392  1.0
]