# generated using pymatgen
data_LiNbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29247406
_cell_length_b   10.29247406
_cell_length_c   10.29247406
_cell_angle_alpha   123.23728154
_cell_angle_beta   118.93444389
_cell_angle_gamma   88.17102770
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbRu2
_chemical_formula_sum   'Li1 Nb1 Ru2'
_cell_volume   756.51834849
_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
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1
  Nb  Nb1  1  0.00000000  0.50000000  0.50000000  1
  Ru  Ru2  1  0.00000000  0.27679200  0.27679200  1
  Ru  Ru3  1  0.00000000  0.72320800  0.72320800  1
