data_[Tl4Sn2Ge2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6673]
_cell_length_b [8.1521]
_cell_length_c [13.5367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2SnGeBr6]
_chemical_formula_sum '[Tl4 Sn2 Ge2 Br12]'
_cell_volume [698.7073]
_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  0.2203  0.5776  0.7491  1.0
  Sn  Sn1  2  0.5000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1351  0.7067  0.4488  1.0
  Br  Br4  4  0.2498  0.1923  0.4503  1.0
  Br  Br5  4  0.3451  0.5247  0.2425  1.0
]