# generated using pymatgen
data_LiIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71211936
_cell_length_b   4.61037329
_cell_length_c   9.38094372
_cell_angle_alpha   90.00000436
_cell_angle_beta   145.19946881
_cell_angle_gamma   113.80096534
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIrN2
_chemical_formula_sum   'Li2 Ir2 N4'
_cell_volume   99.69857082
_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
  Ir  Ir2  1  0.00000000  0.50000000  0.75000000  1
  Ir  Ir3  1  0.00000000  0.00000000  0.50000000  1
  N  N4  1  0.50000000  0.96251300  0.12500000  1
  N  N5  1  0.50000000  0.03748700  0.62500000  1
  N  N6  1  0.57497300  0.53748700  0.41248700  1
  N  N7  1  0.42502700  0.46251300  0.83751300  1
