data_[Tl16In2Sb4]
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 [C2/m]
_cell_length_a [16.9300]
_cell_length_b [6.9080]
_cell_length_c [6.6799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8InSb2]
_chemical_formula_sum '[Tl16 In2 Sb4]'
_cell_volume [720.4847]
_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  8  0.0749  0.2670  0.4092  1.0
  Tl  Tl1  4  0.1337  0.5000  0.9839  1.0
  Tl  Tl2  4  0.2310  0.0000  0.3336  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  4  0.1505  0.0000  0.8133  1.0
]