data_[Tl4In2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.1061]
_cell_length_b [5.1061]
_cell_length_c [9.3694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Tl2InSb]
_chemical_formula_sum '[Tl4 In2 Sb2]'
_cell_volume [244.2864]
_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
[
  Tl  Tl0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.7500  1.0
  In  In2  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  2  0.0000  0.5000  0.2500  1.0
]