data_[Ce12P8H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9019]
_cell_length_b [12.0143]
_cell_length_c [6.9253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce3P2H]
_chemical_formula_sum '[Ce12 P8 H4]'
_cell_volume [541.0976]
_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  0.2464  0.4170  0.4971  1
  Ce  Ce1  4  0.2500  0.2500  0.0000  1
  P  P2  4  0.0000  0.0825  0.7500  1
  P  P3  4  0.0000  0.2461  0.2500  1
  H  H4  4  0.0000  0.4073  0.7500  1
]