# generated using pymatgen
data_Li6RuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67386900
_cell_length_b   6.67386900
_cell_length_c   4.92968100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6RuN4
_chemical_formula_sum   'Li12 Ru2 N8'
_cell_volume   219.57059180
_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  0.59718400  1
  Li  Li1  1  0.50000000  0.00000000  0.90281600  1
  Li  Li2  1  0.50000000  0.00000000  0.40281600  1
  Li  Li3  1  0.00000000  0.50000000  0.09718400  1
  Li  Li4  1  0.21393500  0.21393500  0.50000000  1
  Li  Li5  1  0.78606500  0.78606500  0.50000000  1
  Li  Li6  1  0.71393500  0.71393500  0.00000000  1
  Li  Li7  1  0.28606500  0.28606500  0.00000000  1
  Li  Li8  1  0.78606500  0.21393500  0.50000000  1
  Li  Li9  1  0.21393500  0.78606500  0.50000000  1
  Li  Li10  1  0.28606500  0.71393500  0.00000000  1
  Li  Li11  1  0.71393500  0.28606500  0.00000000  1
  Ru  Ru12  1  0.50000000  0.50000000  0.50000000  1
  Ru  Ru13  1  0.00000000  0.00000000  0.00000000  1
  N  N14  1  0.25448500  0.50000000  0.30877400  1
  N  N15  1  0.74551500  0.50000000  0.30877400  1
  N  N16  1  0.75448500  0.00000000  0.19122600  1
  N  N17  1  0.24551500  0.00000000  0.19122600  1
  N  N18  1  0.50000000  0.25448500  0.69122600  1
  N  N19  1  0.50000000  0.74551500  0.69122600  1
  N  N20  1  0.00000000  0.75448500  0.80877400  1
  N  N21  1  0.00000000  0.24551500  0.80877400  1
