data_[Tl4Cr2In4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6031]
_cell_length_b [12.6335]
_cell_length_c [7.8022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cr(InBr3)2]
_chemical_formula_sum '[Tl4 Cr2 In4 Br12]'
_cell_volume [814.1322]
_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  4  0.0000  0.1960  0.0000  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.0000  0.3513  0.5000  1.0
  Br  Br3  8  0.2008  0.1548  0.6992  1.0
  Br  Br4  4  0.1605  0.0000  0.2688  1.0
]