data_[Li4Bi4Sb4]
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 [C2/m]
_cell_length_a [9.4122]
_cell_length_b [4.4711]
_cell_length_c [9.2864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiBiSb]
_chemical_formula_sum '[Li4 Bi4 Sb4]'
_cell_volume [346.2047]
_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  0.0007  0.0000  0.1663  1.0
  Bi  Bi1  4  0.1863  0.0000  0.6142  1.0
  Sb  Sb2  4  0.2074  0.5000  0.8490  1.0
]