data_[Tl2Zn2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3025]
_cell_length_b [7.2569]
_cell_length_c [8.2582]
_cell_angle_alpha [64.9344]
_cell_angle_beta [84.7666]
_cell_angle_gamma [76.8064]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlZnCl3]
_chemical_formula_sum '[Tl2 Zn2 Cl6]'
_cell_volume [333.0936]
_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  1  0.2351  0.5143  0.3919  1.0
  Tl  Tl1  1  0.7294  0.7631  0.8903  1.0
  Zn  Zn2  1  0.0613  0.1644  0.9894  1.0
  Zn  Zn3  1  0.5645  0.0149  0.2943  1.0
  Cl  Cl4  1  0.1226  0.4703  0.7804  1.0
  Cl  Cl5  1  0.1789  0.1013  0.2736  1.0
  Cl  Cl6  1  0.1806  0.8704  0.9477  1.0
  Cl  Cl7  1  0.6293  0.1141  0.5063  1.0
  Cl  Cl8  1  0.6762  0.2293  0.0109  1.0
  Cl  Cl9  1  0.6847  0.6811  0.3343  1.0
]