# generated using pymatgen
data_LiRuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57458390
_cell_length_b   4.68867230
_cell_length_c   8.96307037
_cell_angle_alpha   89.99999984
_cell_angle_beta   143.50635613
_cell_angle_gamma   114.86869296
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRuN2
_chemical_formula_sum   'Li2 Ru2 N4'
_cell_volume   98.52051264
_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
  Li  Li0  1  0.00000000  0.50000000  0.25000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Ru  Ru2  1  0.00000000  0.50000000  0.75000000  1
  Ru  Ru3  1  0.00000000  0.00000000  0.50000000  1
  N  N4  1  0.50000000  0.95540900  0.12500000  1
  N  N5  1  0.50000000  0.04459100  0.62500000  1
  N  N6  1  0.58918100  0.54459100  0.41959100  1
  N  N7  1  0.41081900  0.45540900  0.83040900  1
