# generated using pymatgen
data_BAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50980003
_cell_length_b   3.50980003
_cell_length_c   5.91601000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000062
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAu
_chemical_formula_sum   'B2 Au2'
_cell_volume   63.11379223
_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
  B  B0  1  0.66666700  0.33333300  0.87279500  1.0
  B  B1  1  0.33333300  0.66666700  0.37279500  1.0
  Au  Au2  1  0.66666700  0.33333300  0.50220300  1.0
  Au  Au3  1  0.33333300  0.66666700  0.00220300  1.0