# generated using pymatgen
data_NdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39858948
_cell_length_b   5.39862517
_cell_length_c   5.39862091
_cell_angle_alpha   60.00001339
_cell_angle_beta   59.99979475
_cell_angle_gamma   59.99994059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdRu2
_chemical_formula_sum   'Nd2 Ru4'
_cell_volume   111.25780537
_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  0.12500100  0.12500000  0.12500000  1.0
  Nd  Nd1  1  0.87499900  0.87500000  0.87500000  1.0
  Ru  Ru2  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru3  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru4  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru5  1  0.50000000  0.50000000  0.00000000  1.0