# generated using pymatgen
data_Mg3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98189552
_cell_length_b   7.98189511
_cell_length_c   8.43505116
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999379
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Au
_chemical_formula_sum   'Mg18 Au6'
_cell_volume   465.40434674
_cell_formula_units_Z   6
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
  Mg  Mg0  1  0.94539722  0.63299510  0.57832042  1.0
  Mg  Mg1  1  0.36700490  0.31240311  0.57832042  1.0
  Mg  Mg2  1  0.68759689  0.05460278  0.57832042  1.0
  Mg  Mg3  1  0.31240311  0.36700490  0.92167958  1.0
  Mg  Mg4  1  0.05460278  0.68759689  0.92167958  1.0
  Mg  Mg5  1  0.63299510  0.94539722  0.92167958  1.0
  Mg  Mg6  1  0.00000000  -0.00000000  0.25000000  1.0
  Mg  Mg7  1  0.00000000  -0.00000000  0.75000000  1.0
  Mg  Mg8  1  0.33333300  0.66666700  0.18583425  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.31416575  1.0
  Mg  Mg10  1  0.66666700  0.33333300  0.81416575  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.68583425  1.0
  Mg  Mg12  1  0.36700490  0.05460278  0.07832042  1.0
  Mg  Mg13  1  0.94539722  0.31240311  0.07832042  1.0
  Mg  Mg14  1  0.68759689  0.63299510  0.07832042  1.0
  Mg  Mg15  1  0.31240311  0.94539722  0.42167958  1.0
  Mg  Mg16  1  0.63299510  0.68759689  0.42167958  1.0
  Mg  Mg17  1  0.05460278  0.36700490  0.42167958  1.0
  Au  Au18  1  0.66033204  0.66033204  0.75000000  1.0
  Au  Au19  1  -0.00000000  0.33966796  0.75000000  1.0
  Au  Au20  1  0.33966796  -0.00000000  0.75000000  1.0
  Au  Au21  1  0.33966796  0.33966796  0.25000000  1.0
  Au  Au22  1  0.00000000  0.66033204  0.25000000  1.0
  Au  Au23  1  0.66033204  0.00000000  0.25000000  1.0