# generated using pymatgen
data_ZrAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85546140
_cell_length_b   4.91746747
_cell_length_c   6.12116902
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAu3
_chemical_formula_sum   'Zr2 Au6'
_cell_volume   146.15254193
_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
  Zr  Zr0  1  0.75000000  0.33908846  0.75000000  1.0
  Zr  Zr1  1  0.25000000  0.66091154  0.25000000  1.0
  Au  Au2  1  0.75000000  0.83469553  0.00364038  1.0
  Au  Au3  1  0.75000000  0.83469553  0.49635962  1.0
  Au  Au4  1  0.25000000  0.16530447  0.99635962  1.0
  Au  Au5  1  0.25000000  0.16530447  0.50364038  1.0
  Au  Au6  1  0.25000000  0.66010364  0.75000000  1.0
  Au  Au7  1  0.75000000  0.33989636  0.25000000  1.0