data_[Tl4Cr2In2Br12]
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 [P2_1/c]
_cell_length_a [7.4696]
_cell_length_b [8.1195]
_cell_length_c [13.2053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2CrInBr6]
_chemical_formula_sum '[Tl4 Cr2 In2 Br12]'
_cell_volume [666.1580]
_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  0.2793  0.0818  0.2491  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  In  In2  2  0.5000  0.0000  0.0000  1
  Br  Br3  4  0.1236  0.0253  0.7217  1
  Br  Br4  4  0.2130  0.7321  0.5497  1
  Br  Br5  4  0.3246  0.1650  0.5430  1
]