# generated using pymatgen
data_LiIrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18486200
_cell_length_b   10.46658200
_cell_length_c   15.17987200
_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   'Li16 Ir16 N32'
_cell_volume   823.77800394
_cell_formula_units_Z   16
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  0.33642200  0.98587700  0.43114200  1
  Li  Li1  1  0.83642200  0.51412300  0.56885800  1
  Li  Li2  1  0.66357800  0.48587700  0.06885800  1
  Li  Li3  1  0.16357800  0.01412300  0.93114200  1
  Li  Li4  1  0.66357800  0.01412300  0.56885800  1
  Li  Li5  1  0.16357800  0.48587700  0.43114200  1
  Li  Li6  1  0.33642200  0.51412300  0.93114200  1
  Li  Li7  1  0.83642200  0.98587700  0.06885800  1
  Li  Li8  1  0.21387700  0.29556500  0.30104300  1
  Li  Li9  1  0.71387700  0.20443500  0.69895700  1
  Li  Li10  1  0.78612300  0.79556500  0.19895700  1
  Li  Li11  1  0.28612300  0.70443500  0.80104300  1
  Li  Li12  1  0.78612300  0.70443500  0.69895700  1
  Li  Li13  1  0.28612300  0.79556500  0.30104300  1
  Li  Li14  1  0.21387700  0.20443500  0.80104300  1
  Li  Li15  1  0.71387700  0.29556500  0.19895700  1
  Ir  Ir16  1  0.87529000  0.02727200  0.30224100  1
  Ir  Ir17  1  0.37529000  0.47272800  0.69775900  1
  Ir  Ir18  1  0.12471000  0.52727200  0.19775900  1
  Ir  Ir19  1  0.62471000  0.97272800  0.80224100  1
  Ir  Ir20  1  0.12471000  0.97272800  0.69775900  1
  Ir  Ir21  1  0.62471000  0.52727200  0.30224100  1
  Ir  Ir22  1  0.87529000  0.47272800  0.80224100  1
  Ir  Ir23  1  0.37529000  0.02727200  0.19775900  1
  Ir  Ir24  1  0.71088900  0.26940800  0.43277700  1
  Ir  Ir25  1  0.21088900  0.23059200  0.56722300  1
  Ir  Ir26  1  0.28911100  0.76940800  0.06722300  1
  Ir  Ir27  1  0.78911100  0.73059200  0.93277700  1
  Ir  Ir28  1  0.28911100  0.73059200  0.56722300  1
  Ir  Ir29  1  0.78911100  0.76940800  0.43277700  1
  Ir  Ir30  1  0.71088900  0.23059200  0.93277700  1
  Ir  Ir31  1  0.21088900  0.26940800  0.06722300  1
  N  N32  1  0.95911000  0.33892300  0.51036900  1
  N  N33  1  0.45911000  0.16107700  0.48963100  1
  N  N34  1  0.04089000  0.83892300  0.98963100  1
  N  N35  1  0.54089000  0.66107700  0.01036900  1
  N  N36  1  0.04089000  0.66107700  0.48963100  1
  N  N37  1  0.54089000  0.83892300  0.51036900  1
  N  N38  1  0.95911000  0.16107700  0.01036900  1
  N  N39  1  0.45911000  0.33892300  0.98963100  1
  N  N40  1  0.49390000  0.40277200  0.38294900  1
  N  N41  1  0.99390000  0.09722800  0.61705100  1
  N  N42  1  0.50610000  0.90277200  0.11705100  1
  N  N43  1  0.00610000  0.59722800  0.88294900  1
  N  N44  1  0.50610000  0.59722800  0.61705100  1
  N  N45  1  0.00610000  0.90277200  0.38294900  1
  N  N46  1  0.49390000  0.09722800  0.88294900  1
  N  N47  1  0.99390000  0.40277200  0.11705100  1
  N  N48  1  0.86171800  0.20639300  0.32538800  1
  N  N49  1  0.36171800  0.29360700  0.67461200  1
  N  N50  1  0.13828200  0.70639300  0.17461200  1
  N  N51  1  0.63828200  0.79360700  0.82538800  1
  N  N52  1  0.13828200  0.79360700  0.67461200  1
  N  N53  1  0.63828200  0.70639300  0.32538800  1
  N  N54  1  0.86171800  0.29360700  0.82538800  1
  N  N55  1  0.36171800  0.20639300  0.17461200  1
  N  N56  1  0.49208400  0.48153100  0.19089500  1
  N  N57  1  0.99208400  0.01846900  0.80910500  1
  N  N58  1  0.50791600  0.98153100  0.30910500  1
  N  N59  1  0.00791600  0.51846900  0.69089500  1
  N  N60  1  0.50791600  0.51846900  0.80910500  1
  N  N61  1  0.00791600  0.98153100  0.19089500  1
  N  N62  1  0.49208400  0.01846900  0.69089500  1
  N  N63  1  0.99208400  0.48153100  0.30910500  1
