data_[Cu2Te2Cl12]
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 [C2]
_cell_length_a [6.7966]
_cell_length_b [12.1879]
_cell_length_c [6.7404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CuTeCl6]
_chemical_formula_sum '[Cu2 Te2 Cl12]'
_cell_volume [545.1259]
_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  0.0000  0.0587  0.0000  1
  Te  Te1  2  0.0000  0.9568  0.5000  1
  Cl  Cl2  4  0.1976  0.1079  0.7916  1
  Cl  Cl3  4  0.2082  0.8206  0.6946  1
  Cl  Cl4  4  0.2465  0.9807  0.2536  1
]