data_[Tl4In8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8476]
_cell_length_b [3.4169]
_cell_length_c [8.0558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlIn2]
_chemical_formula_sum '[Tl4 In8]'
_cell_volume [345.9916]
_cell_formula_units_Z [4]
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  4  0.1824  0.5000  0.6344  1.0
  In  In1  4  0.0349  0.0000  0.2884  1.0
  In  In2  4  0.1407  0.5000  0.0235  1.0
]