data_[Cu6Te4Br4O12]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6443]
_cell_length_b [6.3143]
_cell_length_c [8.6008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu3Te2(BrO3)2]
_chemical_formula_sum '[Cu6 Te4 Br4 O12]'
_cell_volume [515.0706]
_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  0.1045  0.0000  0.3777  1.0
  Cu  Cu1  2  0.0000  0.5000  0.5000  1.0
  Te  Te2  4  0.1903  0.5000  0.2566  1.0
  Br  Br3  4  0.2132  0.0000  0.1445  1.0
  O  O4  8  0.0937  0.3058  0.3782  1.0
  O  O5  4  0.1302  0.0000  0.6180  1.0
]