# generated using pymatgen
data_BaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97417636
_cell_length_b   6.46877759
_cell_length_c   8.44698433
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAu
_chemical_formula_sum   'Ba4 Au4'
_cell_volume   271.79726805
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.25000000  0.86011081  0.68427588  1.0
  Ba  Ba1  1  0.25000000  0.63988919  0.18427588  1.0
  Ba  Ba2  1  0.75000000  0.13988919  0.31572412  1.0
  Ba  Ba3  1  0.75000000  0.36011081  0.81572412  1.0
  Au  Au4  1  0.25000000  0.36476436  0.53711719  1.0
  Au  Au5  1  0.75000000  0.86476436  0.96288281  1.0
  Au  Au6  1  0.25000000  0.13523564  0.03711719  1.0
  Au  Au7  1  0.75000000  0.63523564  0.46288381  1.0