# generated using pymatgen
data_LiNb2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61360764
_cell_length_b   7.61360801
_cell_length_c   5.32882788
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Ru3
_chemical_formula_sum   'Li3 Nb6 Ru9'
_cell_volume   267.51201904
_cell_formula_units_Z   3
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  0.66604453  0.00000000  0.22544989  1.0
  Li  Li1  1  0.33395547  0.33395447  0.22544989  1.0
  Li  Li2  1  0.00000000  0.66604553  0.22544989  1.0
  Nb  Nb3  1  0.66666600  0.33333300  0.53942638  1.0
  Nb  Nb4  1  0.33333400  0.66666700  0.53942638  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.53950163  1.0
  Nb  Nb6  1  0.33324596  1.00000000  0.91144293  1.0
  Nb  Nb7  1  1.00000000  0.33324496  0.91144293  1.0
  Nb  Nb8  1  0.66675504  0.66675504  0.91144293  1.0
  Ru  Ru9  1  0.66666600  0.33333300  0.04810540  1.0
  Ru  Ru10  1  0.33333400  0.66666700  0.04810540  1.0
  Ru  Ru11  1  0.00000000  0.00000000  0.04835204  1.0
  Ru  Ru12  1  0.33321933  1.00000000  0.40265865  1.0
  Ru  Ru13  1  1.00000000  0.33321833  0.40265865  1.0
  Ru  Ru14  1  0.66678167  0.66678167  0.40265865  1.0
  Ru  Ru15  1  0.66663625  0.00000000  0.72542345  1.0
  Ru  Ru16  1  0.33336375  0.33336375  0.72542345  1.0
  Ru  Ru17  1  0.00000000  0.66663625  0.72542345  1.0