data_[Tl6Cu2Ag6Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6349]
_cell_length_b [8.0817]
_cell_length_c [9.0162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3CuAg3Br8]
_chemical_formula_sum '[Tl6 Cu2 Ag6 Br16]'
_cell_volume [942.4888]
_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  0.2500  0.2500  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag4  2  0.0000  0.5000  0.5000  1.0
  Br  Br5  8  0.0035  0.2211  0.3121  1.0
  Br  Br6  4  0.2335  0.5000  0.2742  1.0
  Br  Br7  4  0.2417  0.5000  0.7093  1.0
]