# generated using pymatgen
data_Nd3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52028582
_cell_length_b   7.38442301
_cell_length_c   9.76339012
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Ru
_chemical_formula_sum   'Nd12 Ru4'
_cell_volume   470.09306409
_cell_formula_units_Z   4
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  0.32630986  0.67397213  0.06872187  1.0
  Nd  Nd1  1  0.17369014  0.17397213  0.43127813  1.0
  Nd  Nd2  1  0.67369014  0.32602687  0.56872187  1.0
  Nd  Nd3  1  0.82630986  0.82602787  0.93127813  1.0
  Nd  Nd4  1  0.67369014  0.32602687  0.93127813  1.0
  Nd  Nd5  1  0.82630986  0.82602787  0.56872187  1.0
  Nd  Nd6  1  0.32630986  0.67397213  0.43127813  1.0
  Nd  Nd7  1  0.17369014  0.17397213  0.06872187  1.0
  Nd  Nd8  1  0.85594482  0.54600773  0.25000000  1.0
  Nd  Nd9  1  0.64405518  0.04600773  0.25000000  1.0
  Nd  Nd10  1  0.14405518  0.45399227  0.75000000  1.0
  Nd  Nd11  1  0.35594482  0.95399227  0.75000000  1.0
  Ru  Ru12  1  0.04615280  0.88748800  0.25000000  1.0
  Ru  Ru13  1  0.45384720  0.38748800  0.25000000  1.0
  Ru  Ru14  1  0.95384720  0.11251200  0.75000000  1.0
  Ru  Ru15  1  0.54615280  0.61251200  0.75000000  1.0