# generated using pymatgen
data_Cu2BrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89220000
_cell_length_b   5.41925200
_cell_length_c   5.69613698
_cell_angle_alpha   88.01502989
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BrO3
_chemical_formula_sum   'Cu4 Br2 O6'
_cell_volume   181.77601290
_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  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.25000000  0.49811800  0.00715500  1.0
  Cu  Cu3  1  0.75000000  0.50188200  0.99284500  1.0
  Br  Br4  1  0.25000000  0.79274000  0.38633400  1.0
  Br  Br5  1  0.75000000  0.20726000  0.61366600  1.0
  O  O6  1  0.25000000  0.11159400  0.83738600  1.0
  O  O7  1  0.75000000  0.88840600  0.16261400  1.0
  O  O8  1  0.49274900  0.68407200  0.87047300  1.0
  O  O9  1  0.99274900  0.31592800  0.12952700  1.0
  O  O10  1  0.50725100  0.31592800  0.12952700  1.0
  O  O11  1  0.00725100  0.68407200  0.87047300  1.0