data_[Tl4Ag2Te2Br12]
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
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.0492]
_cell_length_b [11.5915]
_cell_length_c [7.8937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2AgTeBr6]
_chemical_formula_sum '[Tl4 Ag2 Te2 Br12]'
_cell_volume [736.4992]
_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  0.0000  0.3132  0.2041  1.0
  Ag  Ag1  2  0.0000  0.5000  0.7283  1.0
  Te  Te2  2  0.0000  0.0000  0.7626  1.0
  Br  Br3  4  0.0000  0.2369  0.7705  1.0
  Br  Br4  4  0.2254  0.5000  0.4735  1.0
  Br  Br5  4  0.2317  0.5000  0.9809  1.0
]