data_[Li4Zn4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1823]
_cell_length_b [4.4626]
_cell_length_c [7.9728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiZnBi]
_chemical_formula_sum '[Li4 Zn4 Bi4]'
_cell_volume [266.7792]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  Zn  Zn2  4  0.1401  0.5000  0.3793  1.0
  Bi  Bi3  4  0.2417  0.5000  0.7766  1.0
]