# generated using pymatgen
data_LiIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70637000
_cell_length_b   6.59349500
_cell_length_c   5.34294300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIrN2
_chemical_formula_sum   'Li4 Ir4 N8'
_cell_volume   201.02781396
_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  0.59126500  0.37342300  0.99865400  1
  Li  Li1  1  0.40873500  0.62657700  0.49865400  1
  Li  Li2  1  0.90873500  0.87342300  0.49865400  1
  Li  Li3  1  0.09126500  0.12657700  0.99865400  1
  Ir  Ir4  1  0.57813800  0.85750500  0.01182300  1
  Ir  Ir5  1  0.42186200  0.14249500  0.51182300  1
  Ir  Ir6  1  0.92186200  0.35750500  0.51182300  1
  Ir  Ir7  1  0.07813800  0.64249500  0.01182300  1
  N  N8  1  0.60474900  0.36970800  0.39746700  1
  N  N9  1  0.39525100  0.63029200  0.89746700  1
  N  N10  1  0.89525100  0.86970800  0.89746700  1
  N  N11  1  0.10474900  0.13029200  0.39746700  1
  N  N12  1  0.55758700  0.90183100  0.36205600  1
  N  N13  1  0.44241300  0.09816900  0.86205600  1
  N  N14  1  0.94241300  0.40183100  0.86205600  1
  N  N15  1  0.05758700  0.59816900  0.36205600  1
