data_[Li2In2Sb4]
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 [Imm2]
_cell_length_a [4.0021]
_cell_length_b [4.4021]
_cell_length_c [11.9140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LiInSb2]
_chemical_formula_sum '[Li2 In2 Sb4]'
_cell_volume [209.8980]
_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  2  0.0000  0.5000  0.2383  1
  In  In1  2  0.0000  0.0000  0.4561  1
  Sb  Sb2  2  0.0000  0.0000  0.0565  1
  Sb  Sb3  2  0.0000  0.5000  0.7491  1
]