data_[Tl4Ag2Ge2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  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 [7.5171]
_cell_length_b [7.7586]
_cell_length_c [13.1598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2AgGeBr6]
_chemical_formula_sum '[Tl4 Ag2 Ge2 Br12]'
_cell_volume [630.6301]
_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  0.2314  0.5665  0.7507  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1811  0.7044  0.4666  1.0
  Br  Br4  4  0.2659  0.2162  0.4688  1.0
  Br  Br5  4  0.3210  0.5055  0.2553  1.0
]