data_[Ce16Bi12H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0489]
_cell_length_b [9.8242]
_cell_length_c [7.0386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4Bi3H2]
_chemical_formula_sum '[Ce16 Bi12 H8]'
_cell_volume [935.6950]
_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  0.1097  0.2232  0.0392  1.0
  Ce  Ce1  8  0.1973  0.4343  0.6039  1.0
  Bi  Bi2  8  0.1229  0.1198  0.5876  1.0
  Bi  Bi3  4  0.0000  0.4897  0.2500  1.0
  H  H4  8  0.2258  0.3643  0.9352  1.0
]