data_[Ce12Bi6H4]
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 [I4/mmm]
_cell_length_a [4.7401]
_cell_length_b [4.7401]
_cell_length_c [26.8532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ce6Bi3H2]
_chemical_formula_sum '[Ce12 Bi6 H4]'
_cell_volume [603.3510]
_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  0.0000  0.5000  0.0856  1.0
  Ce  Ce1  4  0.0000  0.0000  0.3016  1.0
  Bi  Bi2  4  0.0000  0.0000  0.1772  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  H  H4  4  0.0000  0.0000  0.3920  1.0
]