data_[Tl2Zn1As1Cl6]
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
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1253]
_cell_length_b [7.2431]
_cell_length_c [7.4148]
_cell_angle_alpha [114.7863]
_cell_angle_beta [118.3816]
_cell_angle_gamma [91.8116]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2ZnAsCl6]
_chemical_formula_sum '[Tl2 Zn1 As1 Cl6]'
_cell_volume [292.6082]
_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  2  0.2832  0.7692  0.5417  1
  Zn  Zn1  1  0.0000  0.0000  0.0000  1
  As  As2  1  0.5000  0.5000  0.0000  1
  Cl  Cl3  2  0.1423  0.1346  0.3852  1
  Cl  Cl4  2  0.2844  0.3562  0.1220  1
  Cl  Cl5  2  0.3272  0.7994  0.0338  1
]