data_[Tl1Cu2Te1Cl8]
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
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1033]
_cell_length_b [7.4752]
_cell_length_c [8.3861]
_cell_angle_alpha [93.6234]
_cell_angle_beta [93.0546]
_cell_angle_gamma [117.6258]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCu2TeCl8]
_chemical_formula_sum '[Tl1 Cu2 Te1 Cl8]'
_cell_volume [392.0157]
_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  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  2  0.4990  0.9442  0.6735  1.0
  Te  Te2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0764  0.2848  0.8261  1.0
  Cl  Cl4  2  0.1627  0.8363  0.8022  1.0
  Cl  Cl5  2  0.3727  0.2162  0.1676  1.0
  Cl  Cl6  2  0.4507  0.7678  0.4246  1.0
]