data_[Tl4Zn2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4541]
_cell_length_b [7.5738]
_cell_length_c [9.2937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl2ZnBr4]
_chemical_formula_sum '[Tl4 Zn2 Br8]'
_cell_volume [497.1978]
_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  2  0.2346  0.2500  0.4302  1.0
  Tl  Tl1  2  0.2786  0.2500  0.9499  1.0
  Zn  Zn2  2  0.2813  0.7500  0.2060  1.0
  Br  Br3  4  0.4988  0.0018  0.2687  1.0
  Br  Br4  2  0.0809  0.7500  0.3671  1.0
  Br  Br5  2  0.1043  0.7500  0.9365  1.0
]