data_[Tl2Zn1Pb1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2162]
_cell_length_b [8.2748]
_cell_length_c [8.3263]
_cell_angle_alpha [108.4569]
_cell_angle_beta [101.8216]
_cell_angle_gamma [115.3989]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2ZnPbBr6]
_chemical_formula_sum '[Tl2 Zn1 Pb1 Br6]'
_cell_volume [390.9111]
_cell_formula_units_Z [1]
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  1  0.8004  0.0718  0.8392  1.0
  Tl  Tl1  1  0.9707  0.5135  0.4793  1.0
  Zn  Zn2  1  0.4499  0.3031  0.8365  1.0
  Pb  Pb3  1  0.3745  0.8449  0.1987  1.0
  Br  Br4  1  0.2378  0.9978  0.8626  1.0
  Br  Br5  1  0.2443  0.4736  0.8390  1.0
  Br  Br6  1  0.4468  0.6645  0.4221  1.0
  Br  Br7  1  0.5062  0.2238  0.5466  1.0
  Br  Br8  1  0.8222  0.5177  0.0800  1.0
  Br  Br9  1  0.8239  0.0508  0.2345  1.0
]