# generated using pymatgen
data_Ba2ZnAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43092900
_cell_length_b   6.43092899
_cell_length_c   8.76221064
_cell_angle_alpha   47.42355602
_cell_angle_beta   47.42355490
_cell_angle_gamma   43.40630075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnAu3
_chemical_formula_sum   'Ba2 Zn1 Au3'
_cell_volume   170.66714461
_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  0.49897432  0.49897432  0.75413603  1.0
  Ba  Ba1  1  0.50166124  0.50166124  0.24549170  1.0
  Zn  Zn2  1  0.82722325  0.82722325  0.67143893  1.0
  Au  Au3  1  0.14501269  0.14501269  0.35583938  1.0
  Au  Au4  1  0.18808035  0.18808035  0.81049023  1.0
  Au  Au5  1  0.83904815  0.83904815  0.16260172  1.0