data_[Cu6Te4O16]
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 [C2/m]
_cell_length_a [11.7281]
_cell_length_b [5.6852]
_cell_length_c [5.5923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu3(TeO4)2]
_chemical_formula_sum '[Cu6 Te4 O16]'
_cell_volume [363.1647]
_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  4  0.0000  0.2491  0.0000  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Te  Te2  4  0.1926  0.5000  0.6627  1.0
  O  O3  8  0.1232  0.2484  0.4586  1.0
  O  O4  4  0.0660  0.0000  0.8613  1.0
  O  O5  4  0.0868  0.5000  0.8989  1.0
]