# generated using pymatgen
data_NdTh3RuAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53731456
_cell_length_b   5.94554453
_cell_length_c   7.56757974
_cell_angle_alpha   88.82089888
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh3RuAu3
_chemical_formula_sum   'Nd1 Th3 Ru1 Au3'
_cell_volume   204.10590114
_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
  Nd  Nd0  1  0.25000000  0.14257197  0.18230362  1.0
  Th  Th1  1  0.25000000  0.36941014  0.67649694  1.0
  Th  Th2  1  0.75000000  0.65534007  0.33318856  1.0
  Th  Th3  1  0.75000000  0.86303655  0.79982647  1.0
  Ru  Ru4  1  0.25000000  0.80203495  0.55456869  1.0
  Au  Au5  1  0.25000000  0.65882485  0.04430333  1.0
  Au  Au6  1  0.75000000  0.15254167  0.45271737  1.0
  Au  Au7  1  0.75000000  0.35624082  0.95659502  1.0