data_[Tl6Cr3Sn3Br18]
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 [R-3]
_cell_length_a [7.8540]
_cell_length_b [7.8540]
_cell_length_c [18.7766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl2CrSnBr6]
_chemical_formula_sum '[Tl6 Cr3 Sn3 Br18]'
_cell_volume [1003.0694]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2750  1.0
  Cr  Cr1  3  -0.0000  0.0000  0.5000  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  18  0.0251  0.4401  0.2474  1.0
]