data_[Ce8Bi4H2]
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 [P2_1/m]
_cell_length_a [6.1357]
_cell_length_b [6.7395]
_cell_length_c [9.4321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce4Bi2H]
_chemical_formula_sum '[Ce8 Bi4 H2]'
_cell_volume [384.4938]
_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  4  0.2934  0.0378  0.7258  1.0
  Ce  Ce1  2  0.1831  0.7500  0.0590  1.0
  Ce  Ce2  2  0.1960  0.2500  0.3683  1.0
  Bi  Bi3  2  0.2396  0.7500  0.4175  1.0
  Bi  Bi4  2  0.3358  0.2500  0.0539  1.0
  H  H5  2  0.1295  0.7500  0.8010  1.0
]