# generated using pymatgen
data_NdAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45841224
_cell_length_b   6.45841256
_cell_length_c   4.76668784
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000918
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAu3
_chemical_formula_sum   'Nd2 Au6'
_cell_volume   172.18640163
_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
  Nd  Nd0  1  0.66666700  0.33333200  0.25000200  1.0
  Nd  Nd1  1  0.33333400  0.66666700  0.75000000  1.0
  Au  Au2  1  0.84558625  0.15441375  0.75000000  1.0
  Au  Au3  1  0.30882849  0.15441375  0.75000000  1.0
  Au  Au4  1  0.84558725  0.69117151  0.75000000  1.0
  Au  Au5  1  0.15441475  0.84558625  0.25000200  1.0
  Au  Au6  1  0.69117251  0.84558625  0.25000200  1.0
  Au  Au7  1  0.15441375  0.30882949  0.25000200  1.0