data_[Tl2In1Sb1]
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 [Pm]
_cell_length_a [3.2918]
_cell_length_b [5.5111]
_cell_length_c [6.6589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl2InSb]
_chemical_formula_sum '[Tl2 In1 Sb1]'
_cell_volume [120.0885]
_cell_formula_units_Z [1]
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  1  0.0750  0.0000  0.0191  1.0
  Tl  Tl1  1  0.4249  0.5000  0.7299  1.0
  In  In2  1  0.8299  0.0000  0.5007  1.0
  Sb  Sb3  1  0.6702  0.5000  0.2504  1.0
]