# generated using pymatgen
data_GaCuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24061128
_cell_length_b   7.24061128
_cell_length_c   7.24061128
_cell_angle_alpha   116.28607754
_cell_angle_beta   116.28607754
_cell_angle_gamma   96.56286675
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuBr3
_chemical_formula_sum   'Ga2 Cu2 Br6'
_cell_volume   281.48495472
_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
  Ga  Ga0  1  0.50000000  0.50000000  0.00000000  1.0
  Ga  Ga1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu3  1  0.75000000  0.25000000  0.50000000  1.0
  Br  Br4  1  0.75000000  0.75000000  0.00000000  1.0
  Br  Br5  1  0.25000000  0.25000000  0.00000000  1.0
  Br  Br6  1  0.15235200  0.65235200  0.80470500  1.0
  Br  Br7  1  0.84764800  0.34764800  0.19529500  1.0
  Br  Br8  1  0.65235200  0.84764800  0.50000000  1.0
  Br  Br9  1  0.34764800  0.15235200  0.50000000  1.0