# generated using pymatgen
data_IrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09324547
_cell_length_b   3.09324547
_cell_length_c   3.76701400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrN2
_chemical_formula_sum   'Ir1 N2'
_cell_volume   31.21452180
_cell_formula_units_Z   1
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
  Ir  Ir0  1  0.66666700  0.33333300  0.50000000  1.0
  N  N1  1  0.00000000  0.00000000  0.83264900  1.0
  N  N2  1  0.00000000  0.00000000  0.16735100  1.0