data_[V4Cu6Br4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  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 [9.3965]
_cell_length_b [6.4738]
_cell_length_c [6.7746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2Cu3(BrO3)2]
_chemical_formula_sum '[V4 Cu6 Br4 O12]'
_cell_volume [411.3016]
_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
[
  V  V0  4  0.2012  0.5000  0.2440  1
  Cu  Cu1  4  0.0902  0.0000  0.3414  1
  Cu  Cu2  2  0.0000  0.5000  0.5000  1
  Br  Br3  4  0.1831  0.5000  0.8888  1
  O  O4  8  0.1115  0.2967  0.3515  1
  O  O5  4  0.1259  0.0000  0.6830  1
]