data_[Ce10P8H2]
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 [I4/m]
_cell_length_a [9.0611]
_cell_length_b [9.0611]
_cell_length_c [5.7160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ce5P4H]
_chemical_formula_sum '[Ce10 P8 H2]'
_cell_volume [469.3023]
_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  0.1012  0.3009  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  P  P2  8  0.0980  0.2998  0.5000  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
]