# generated using pymatgen
data_Cu3Br4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80428529
_cell_length_b   6.80428503
_cell_length_c   6.80428500
_cell_angle_alpha   131.93684023
_cell_angle_beta   131.93683852
_cell_angle_gamma   70.32879834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Br4
_chemical_formula_sum   'Cu3 Br4'
_cell_volume   170.84327854
_cell_formula_units_Z   1
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  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu1  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br3  1  0.63081283  0.63081283  0.50736899  1.0
  Br  Br4  1  0.87655616  0.36918717  0.00000000  1.0
  Br  Br5  1  0.12344384  0.12344384  0.49263101  1.0
  Br  Br6  1  0.36918717  0.87655616  0.00000000  1.0