# generated using pymatgen
data_LiRuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95314100
_cell_length_b   4.74763100
_cell_length_c   9.72596900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRuN
_chemical_formula_sum   'Li4 Ru4 N4'
_cell_volume   136.36220685
_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
  Li  Li0  1  0.25000000  0.72870700  0.48931300  1
  Li  Li1  1  0.25000000  0.77129300  0.98931300  1
  Li  Li2  1  0.75000000  0.27129300  0.51068700  1
  Li  Li3  1  0.75000000  0.22870700  0.01068700  1
  Ru  Ru4  1  0.25000000  0.46159100  0.74434100  1
  Ru  Ru5  1  0.25000000  0.03840900  0.24434100  1
  Ru  Ru6  1  0.75000000  0.53840900  0.25565900  1
  Ru  Ru7  1  0.75000000  0.96159100  0.75565900  1
  N  N8  1  0.25000000  0.13877500  0.86453500  1
  N  N9  1  0.25000000  0.36122500  0.36453500  1
  N  N10  1  0.75000000  0.86122500  0.13546500  1
  N  N11  1  0.75000000  0.63877500  0.63546500  1
