# generated using pymatgen
data_Cu3B7BrO13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54156142
_cell_length_b   8.54156142
_cell_length_c   8.54156142
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3B7BrO13
_chemical_formula_sum   'Cu6 B14 Br2 O26'
_cell_volume   440.65307603
_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  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu1  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  B  B6  1  0.74279300  0.41906900  0.41906900  1.0
  B  B7  1  0.91906900  0.24279300  0.91906900  1.0
  B  B8  1  0.91906900  0.91906900  0.91906900  1.0
  B  B9  1  0.25000000  0.75000000  0.75000000  1.0
  B  B10  1  0.75000000  0.25000000  0.75000000  1.0
  B  B11  1  0.41906900  0.41906900  0.74279300  1.0
  B  B12  1  0.25000000  0.25000000  0.75000000  1.0
  B  B13  1  0.91906900  0.91906900  0.24279300  1.0
  B  B14  1  0.75000000  0.25000000  0.25000000  1.0
  B  B15  1  0.75000000  0.75000000  0.25000000  1.0
  B  B16  1  0.41906900  0.74279300  0.41906900  1.0
  B  B17  1  0.41906900  0.41906900  0.41906900  1.0
  B  B18  1  0.24279300  0.91906900  0.91906900  1.0
  B  B19  1  0.25000000  0.75000000  0.25000000  1.0
  Br  Br20  1  0.75000000  0.75000000  0.75000000  1.0
  Br  Br21  1  0.25000000  0.25000000  0.25000000  1.0
  O  O22  1  0.50000000  0.50000000  0.50000000  1.0
  O  O23  1  0.79628600  0.23932600  0.56407100  1.0
  O  O24  1  0.40031700  0.79628700  0.56407100  1.0
  O  O25  1  0.00000000  0.00000000  0.00000000  1.0
  O  O26  1  0.56407100  0.79628700  0.23932600  1.0
  O  O27  1  0.79628600  0.56407100  0.40031700  1.0
  O  O28  1  0.79628600  0.40031700  0.23932600  1.0
  O  O29  1  0.40031700  0.23932600  0.79628600  1.0
  O  O30  1  0.29628600  0.06407100  0.73932600  1.0
  O  O31  1  0.29628600  0.73932600  0.90031700  1.0
  O  O32  1  0.23932600  0.40031700  0.56407100  1.0
  O  O33  1  0.06407100  0.90031700  0.73932600  1.0
  O  O34  1  0.90031700  0.29628700  0.73932600  1.0
  O  O35  1  0.40031700  0.56407100  0.23932600  1.0
  O  O36  1  0.56407100  0.23932600  0.40031700  1.0
  O  O37  1  0.73932600  0.06407100  0.90031700  1.0
  O  O38  1  0.73932600  0.90031700  0.29628600  1.0
  O  O39  1  0.23932600  0.79628600  0.40031700  1.0
  O  O40  1  0.90031700  0.06407100  0.29628600  1.0
  O  O41  1  0.06407100  0.29628700  0.90031700  1.0
  O  O42  1  0.29628600  0.90031700  0.06407100  1.0
  O  O43  1  0.56407100  0.40031700  0.79628600  1.0
  O  O44  1  0.90031700  0.73932600  0.06407100  1.0
  O  O45  1  0.06407100  0.73932600  0.29628600  1.0
  O  O46  1  0.73932600  0.29628600  0.06407100  1.0
  O  O47  1  0.23932600  0.56407100  0.79628600  1.0