data_[Li2In2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7666]
_cell_length_b [4.7666]
_cell_length_c [7.8954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiInSb]
_chemical_formula_sum '[Li2 In2 Sb2]'
_cell_volume [155.3520]
_cell_formula_units_Z [2]
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  1  0.0000  0.0000  0.1425  1.0
  Li  Li1  1  0.3333  0.6667  0.9348  1.0
  In  In2  1  0.0000  0.0000  0.7531  1.0
  In  In3  1  0.6667  0.3333  0.3987  1.0
  Sb  Sb4  1  0.3333  0.6667  0.5456  1.0
  Sb  Sb5  1  0.6667  0.3333  0.0303  1.0
]