data_[Li16Bi4Sb8]
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 [Cmce]
_cell_length_a [11.2016]
_cell_length_b [6.1937]
_cell_length_c [8.9418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li4BiSb2]
_chemical_formula_sum '[Li16 Bi4 Sb8]'
_cell_volume [620.3692]
_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  8  0.0000  0.2352  0.2557  1
  Li  Li1  8  0.2500  0.2444  0.7500  1
  Bi  Bi2  4  0.0000  0.0000  0.0000  1
  Sb  Sb3  8  0.1344  0.0000  0.5000  1
]