# generated using pymatgen
data_MgAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75816823
_cell_length_b   9.51989267
_cell_length_c   10.48051471
_cell_angle_alpha   90.00000000
_cell_angle_beta   105.94463179
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAu3
_chemical_formula_sum   'Mg8 Au24'
_cell_volume   552.40903472
_cell_formula_units_Z   8
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  0.87613116  0.50131958  0.75226333  1.0
  Mg  Mg1  1  0.12386884  0.49868042  0.24773667  1.0
  Mg  Mg2  1  0.12386884  0.00131958  0.24773667  1.0
  Mg  Mg3  1  0.87613116  0.99868042  0.75226333  1.0
  Mg  Mg4  1  0.54064712  0.75000000  0.08129425  1.0
  Mg  Mg5  1  0.45935288  0.25000000  0.91870575  1.0
  Mg  Mg6  1  0.29366576  0.75000000  0.58733152  1.0
  Mg  Mg7  1  0.70633424  0.25000000  0.41266848  1.0
  Au  Au8  1  0.25169080  0.00000000  0.00000000  1.0
  Au  Au9  1  0.74830920  0.50000000  -0.00000000  1.0
  Au  Au10  1  0.74830920  -0.00000000  -0.00000000  1.0
  Au  Au11  1  0.25169080  0.50000000  0.00000000  1.0
  Au  Au12  1  0.62591156  0.99877439  0.25182312  1.0
  Au  Au13  1  0.37408844  0.00122561  0.74817688  1.0
  Au  Au14  1  0.37408844  0.49877439  0.74817688  1.0
  Au  Au15  1  0.62591156  0.50122561  0.25182312  1.0
  Au  Au16  1  0.08105291  0.25000000  0.66631319  1.0
  Au  Au17  1  0.41473972  0.75000000  0.33368681  1.0
  Au  Au18  1  0.91894709  0.75000000  0.33368681  1.0
  Au  Au19  1  0.58526028  0.25000000  0.66631319  1.0
  Au  Au20  1  0.33290922  0.25000000  0.16632568  1.0
  Au  Au21  1  0.16658453  0.75000000  0.83367432  1.0
  Au  Au22  1  0.66709078  0.75000000  0.83367432  1.0
  Au  Au23  1  0.83341547  0.25000000  0.16632568  1.0
  Au  Au24  1  0.50000000  0.50000000  0.50000000  1.0
  Au  Au25  1  -0.00000000  0.50000000  0.50000000  1.0
  Au  Au26  1  0.50000000  0.00000000  0.50000000  1.0
  Au  Au27  1  -0.00000000  -0.00000000  0.50000000  1.0
  Au  Au28  1  0.79188224  0.75000000  0.58376548  1.0
  Au  Au29  1  0.20811776  0.25000000  0.41623452  1.0
  Au  Au30  1  0.04470946  0.75000000  0.08941891  1.0
  Au  Au31  1  0.95529054  0.25000000  0.91058109  1.0