data_[Ce8Bi2H8]
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/m]
_cell_length_a [8.2992]
_cell_length_b [8.2992]
_cell_length_c [4.7286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ce4BiH4]
_chemical_formula_sum '[Ce8 Bi2 H8]'
_cell_volume [325.6926]
_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  0.1132  0.6976  0.5000  1.0
  Bi  Bi1  2  0.0000  0.0000  0.0000  1.0
  H  H2  8  0.1223  0.6509  0.0000  1.0
]