data_[Cu2Te2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2688]
_cell_length_b [5.4266]
_cell_length_c [6.0757]
_cell_angle_alpha [84.2128]
_cell_angle_beta [81.9804]
_cell_angle_gamma [68.2809]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuTeO4]
_chemical_formula_sum '[Cu2 Te2 O8]'
_cell_volume [159.5755]
_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  1  0.0000  0.5000  0.0000  1.0
  Cu  Cu1  1  0.5000  0.5000  0.5000  1.0
  Te  Te2  2  0.0151  0.9858  0.2579  1.0
  O  O3  2  0.1951  0.1053  0.9626  1.0
  O  O4  2  0.2092  0.6356  0.7552  1.0
  O  O5  2  0.2272  0.0604  0.4751  1.0
  O  O6  2  0.2576  0.6274  0.2601  1.0
]