# generated using pymatgen
data_Au3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76424028
_cell_length_b   6.76424028
_cell_length_c   4.48342600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Au3Br
_chemical_formula_sum   'Au6 Br2'
_cell_volume   177.65550856
_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
  Au  Au0  1  0.14542400  0.29084900  0.25000000  1.0
  Au  Au1  1  0.70915100  0.85457600  0.25000000  1.0
  Au  Au2  1  0.14542400  0.85457600  0.25000000  1.0
  Au  Au3  1  0.85457600  0.70915100  0.75000000  1.0
  Au  Au4  1  0.29084900  0.14542400  0.75000000  1.0
  Au  Au5  1  0.85457600  0.14542400  0.75000000  1.0
  Br  Br6  1  0.33333300  0.66666700  0.75000000  1.0
  Br  Br7  1  0.66666700  0.33333300  0.25000000  1.0