# generated using pymatgen
data_Li3NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34042694
_cell_length_b   7.13790748
_cell_length_c   10.65964546
_cell_angle_alpha   89.99999984
_cell_angle_beta   136.55973503
_cell_angle_gamma   119.09146298
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiN2
_chemical_formula_sum   'Li12 Ni4 N8'
_cell_volume   271.55297056
_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  1.00000000  0.50000000  0.36754167  1.0
  Li  Li1  1  0.00000000  0.00000000  0.88245833  1.0
  Li  Li2  1  0.00000000  0.50000000  0.13245833  1.0
  Li  Li3  1  1.00000000  1.00000000  0.11754167  1.0
  Li  Li4  1  0.54828805  0.50000000  0.52414452  1.0
  Li  Li5  1  0.45171195  0.50000000  0.97585548  1.0
  Li  Li6  1  0.54828805  -0.00000000  0.27414452  1.0
  Li  Li7  1  0.45171195  0.00000000  0.72585548  1.0
  Li  Li8  1  0.45171195  0.95171195  0.97585548  1.0
  Li  Li9  1  0.54828805  0.04828805  0.52414452  1.0
  Li  Li10  1  0.45171195  0.45171195  0.72585548  1.0
  Li  Li11  1  0.54828805  0.54828805  0.27414452  1.0
  Ni  Ni12  1  0.00000000  0.50000000  0.60472389  1.0
  Ni  Ni13  1  1.00000000  1.00000000  0.64527611  1.0
  Ni  Ni14  1  1.00000000  0.50000000  0.89527611  1.0
  Ni  Ni15  1  0.00000000  0.00000000  0.35472389  1.0
  N  N16  1  0.47357179  0.73678540  0.83520657  1.0
  N  N17  1  0.52642821  0.26321460  0.36163478  1.0
  N  N18  1  0.47357179  0.23678540  0.88836522  1.0
  N  N19  1  0.52642821  0.76321460  0.41479343  1.0
  N  N20  1  1.00000000  0.26321460  0.90157983  1.0
  N  N21  1  0.00000000  0.73678540  0.90157983  1.0
  N  N22  1  1.00000000  0.76321460  0.34842017  1.0
  N  N23  1  0.00000000  0.23678540  0.34842017  1.0