data_[Tl1Cr1Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6112]
_cell_length_b [7.9093]
_cell_length_c [9.0149]
_cell_angle_alpha [75.3847]
_cell_angle_beta [73.8486]
_cell_angle_gamma [86.7706]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCr(SnBr4)2]
_chemical_formula_sum '[Tl1 Cr1 Sn2 Br8]'
_cell_volume [438.0867]
_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  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4616  0.3757  0.7651  1.0
  Br  Br3  2  0.1803  0.7152  0.0953  1.0
  Br  Br4  2  0.1989  0.1699  0.1150  1.0
  Br  Br5  2  0.2490  0.6246  0.5268  1.0
  Br  Br6  2  0.2979  0.0675  0.7395  1.0
]