# generated using pymatgen
data_Li3RuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78638362
_cell_length_b   6.21717398
_cell_length_c   15.21498370
_cell_angle_alpha   90.00000105
_cell_angle_beta   149.97730453
_cell_angle_gamma   110.71966798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3RuN2
_chemical_formula_sum   'Li12 Ru4 N8'
_cell_volume   294.05426445
_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  0.00000000  0.50000000  0.35674500  1
  Li  Li1  1  0.00000000  0.00000000  0.89325500  1
  Li  Li2  1  0.00000000  0.50000000  0.14325500  1
  Li  Li3  1  0.00000000  0.00000000  0.10674500  1
  Li  Li4  1  0.59385700  0.50000000  0.54692800  1
  Li  Li5  1  0.40614300  0.50000000  0.95307200  1
  Li  Li6  1  0.59385700  0.00000000  0.29692800  1
  Li  Li7  1  0.40614300  0.00000000  0.70307200  1
  Li  Li8  1  0.40614300  0.90614300  0.95307200  1
  Li  Li9  1  0.59385700  0.09385700  0.54692800  1
  Li  Li10  1  0.40614300  0.40614300  0.70307200  1
  Li  Li11  1  0.59385700  0.59385700  0.29692800  1
  Ru  Ru12  1  0.00000000  0.50000000  0.89043400  1
  Ru  Ru13  1  0.00000000  0.00000000  0.35956600  1
  Ru  Ru14  1  0.00000000  0.50000000  0.60956600  1
  Ru  Ru15  1  0.00000000  0.00000000  0.64043400  1
  N  N16  1  0.21251200  0.60625600  0.59056200  1
  N  N17  1  0.78748800  0.39374400  0.37805000  1
  N  N18  1  0.21251200  0.10625600  0.87195000  1
  N  N19  1  0.78748800  0.89374400  0.65943800  1
  N  N20  1  0.00000000  0.39374400  0.01569400  1
  N  N21  1  0.00000000  0.60625600  0.01569400  1
  N  N22  1  0.00000000  0.89374400  0.23430600  1
  N  N23  1  0.00000000  0.10625600  0.23430600  1
