# generated using pymatgen
data_Ba2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41653676
_cell_length_b   6.41653676
_cell_length_c   4.77787820
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   139.35350201
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2PtAu
_chemical_formula_sum   'Ba2 Pt1 Au1'
_cell_volume   128.13791623
_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
  Ba  Ba0  1  0.13821547  0.86178453  0.50000000  1.0
  Ba  Ba1  1  0.86288245  0.13711755  0.00000000  1.0
  Pt  Pt2  1  0.42497669  0.57502331  0.50000000  1.0
  Au  Au3  1  0.57392638  0.42607362  -0.00000000  1.0