data_[Li8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.8333]
_cell_length_b [6.4043]
_cell_length_c [10.9387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [LiBi]
_chemical_formula_sum '[Li8 Bi8]'
_cell_volume [408.6498]
_cell_formula_units_Z [8]
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
[
  Li  Li0  4  0.0563  0.9221  0.8177  1.0
  Li  Li1  4  0.2093  0.5360  0.4267  1.0
  Bi  Bi2  4  0.0920  0.3765  0.1681  1.0
  Bi  Bi3  4  0.2063  0.0452  0.5593  1.0
]