data_[Cu4Te4O12]
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 [P2_1/c]
_cell_length_a [5.2059]
_cell_length_b [9.5216]
_cell_length_c [7.5698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuTeO3]
_chemical_formula_sum '[Cu4 Te4 O12]'
_cell_volume [297.2903]
_cell_formula_units_Z [4]
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  0.3822  0.5123  0.6440  1
  Te  Te1  4  0.1747  0.2111  0.4209  1
  O  O2  4  0.1742  0.1529  0.1613  1
  O  O3  4  0.3391  0.1056  0.9158  1
  O  O4  4  0.4066  0.6358  0.8526  1
]