data_[Cu2Te2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [3.5560]
_cell_length_b [9.4316]
_cell_length_c [9.7373]
_cell_angle_alpha [76.4612]
_cell_angle_beta [89.3626]
_cell_angle_gamma [79.2421]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuTeCl3]
_chemical_formula_sum '[Cu2 Te2 Cl6]'
_cell_volume [311.7436]
_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
[
  Cu  Cu0  2  0.1360  0.2443  0.2079  1.0
  Te  Te1  2  0.0629  0.3658  0.6156  1.0
  Cl  Cl2  2  0.0104  0.4989  0.1850  1.0
  Cl  Cl3  2  0.1575  0.1862  0.4577  1.0
  Cl  Cl4  2  0.3149  0.8498  0.8771  1.0
]