data_[Cu2Te2Cl4O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8259]
_cell_length_b [10.9590]
_cell_length_c [5.8378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuTeCl2O3]
_chemical_formula_sum '[Cu2 Te2 Cl4 O6]'
_cell_volume [237.8221]
_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  0.0000  0.0000  1
  Te  Te1  2  0.1673  0.7500  0.4288  1
  Cl  Cl2  4  0.3527  0.6049  0.8143  1
  O  O3  4  0.1188  0.6083  0.2536  1
  O  O4  2  0.2953  0.2500  0.4754  1
]