data_[Tl2In4Br3]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7546]
_cell_length_b [10.2068]
_cell_length_c [21.8996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl2In4Br3]
_chemical_formula_sum '[Tl2 In4 Br3]'
_cell_volume [839.2505]
_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  2  0.2475  0.3235  0.4015  1
  In  In1  2  0.7351  0.3505  0.6378  1
  In  In2  1  0.2364  0.5000  0.5277  1
  In  In3  1  0.7311  0.0000  0.4733  1
  Br  Br4  2  0.2334  0.1831  0.5488  1
  Br  Br5  1  0.7477  0.5000  0.3227  1
]