data_[Li12Bi4Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3715]
_cell_length_b [5.3382]
_cell_length_c [10.1985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3BiSb]
_chemical_formula_sum '[Li12 Bi4 Sb4]'
_cell_volume [437.2661]
_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  4  0.0175  0.7285  0.3804  1.0
  Li  Li1  4  0.3970  0.1037  0.2254  1.0
  Li  Li2  4  0.3998  0.7499  0.4746  1.0
  Bi  Bi3  4  0.2249  0.2440  0.4347  1.0
  Sb  Sb4  4  0.2389  0.6187  0.1859  1.0
]