# generated using pymatgen
data_Li7IrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78640600
_cell_length_b   9.78640600
_cell_length_c   9.78640600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7IrN4
_chemical_formula_sum   'Li56 Ir8 N32'
_cell_volume   937.28072723
_cell_formula_units_Z   8
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  0.36632800  0.63367200  0.13367200  1
  Li  Li1  1  0.63367200  0.13367200  0.36632800  1
  Li  Li2  1  0.13367200  0.36632800  0.63367200  1
  Li  Li3  1  0.86632800  0.86632800  0.86632800  1
  Li  Li4  1  0.63367200  0.36632800  0.86632800  1
  Li  Li5  1  0.36632800  0.86632800  0.63367200  1
  Li  Li6  1  0.86632800  0.63367200  0.36632800  1
  Li  Li7  1  0.13367200  0.13367200  0.13367200  1
  Li  Li8  1  0.36752900  0.63115400  0.38420700  1
  Li  Li9  1  0.63247100  0.13115400  0.11579300  1
  Li  Li10  1  0.13247100  0.36884600  0.88420700  1
  Li  Li11  1  0.86752900  0.86884600  0.61579300  1
  Li  Li12  1  0.38420700  0.36752900  0.63115400  1
  Li  Li13  1  0.11579300  0.63247100  0.13115400  1
  Li  Li14  1  0.88420700  0.13247100  0.36884600  1
  Li  Li15  1  0.61579300  0.86752900  0.86884600  1
  Li  Li16  1  0.63115400  0.38420700  0.36752900  1
  Li  Li17  1  0.13115400  0.11579300  0.63247100  1
  Li  Li18  1  0.36884600  0.88420700  0.13247100  1
  Li  Li19  1  0.86884600  0.61579300  0.86752900  1
  Li  Li20  1  0.63247100  0.36884600  0.61579300  1
  Li  Li21  1  0.36752900  0.86884600  0.88420700  1
  Li  Li22  1  0.86752900  0.63115400  0.11579300  1
  Li  Li23  1  0.13247100  0.13115400  0.38420700  1
  Li  Li24  1  0.61579300  0.63247100  0.36884600  1
  Li  Li25  1  0.88420700  0.36752900  0.86884600  1
  Li  Li26  1  0.11579300  0.86752900  0.63115400  1
  Li  Li27  1  0.38420700  0.13247100  0.13115400  1
  Li  Li28  1  0.36884600  0.61579300  0.63247100  1
  Li  Li29  1  0.86884600  0.88420700  0.36752900  1
  Li  Li30  1  0.63115400  0.11579300  0.86752900  1
  Li  Li31  1  0.13115400  0.38420700  0.13247100  1
  Li  Li32  1  0.39340100  0.86633000  0.38235300  1
  Li  Li33  1  0.60659900  0.36633000  0.11764700  1
  Li  Li34  1  0.10659900  0.13367000  0.88235300  1
  Li  Li35  1  0.89340100  0.63367000  0.61764700  1
  Li  Li36  1  0.38235300  0.39340100  0.86633000  1
  Li  Li37  1  0.11764700  0.60659900  0.36633000  1
  Li  Li38  1  0.88235300  0.10659900  0.13367000  1
  Li  Li39  1  0.61764700  0.89340100  0.63367000  1
  Li  Li40  1  0.86633000  0.38235300  0.39340100  1
  Li  Li41  1  0.36633000  0.11764700  0.60659900  1
  Li  Li42  1  0.13367000  0.88235300  0.10659900  1
  Li  Li43  1  0.63367000  0.61764700  0.89340100  1
  Li  Li44  1  0.60659900  0.13367000  0.61764700  1
  Li  Li45  1  0.39340100  0.63367000  0.88235300  1
  Li  Li46  1  0.89340100  0.86633000  0.11764700  1
  Li  Li47  1  0.10659900  0.36633000  0.38235300  1
  Li  Li48  1  0.61764700  0.60659900  0.13367000  1
  Li  Li49  1  0.88235300  0.39340100  0.63367000  1
  Li  Li50  1  0.11764700  0.89340100  0.86633000  1
  Li  Li51  1  0.38235300  0.10659900  0.36633000  1
  Li  Li52  1  0.13367000  0.61764700  0.60659900  1
  Li  Li53  1  0.63367000  0.88235300  0.39340100  1
  Li  Li54  1  0.86633000  0.11764700  0.89340100  1
  Li  Li55  1  0.36633000  0.38235300  0.10659900  1
  Ir  Ir56  1  0.12703700  0.87296300  0.37296300  1
  Ir  Ir57  1  0.87296300  0.37296300  0.12703700  1
  Ir  Ir58  1  0.37296300  0.12703700  0.87296300  1
  Ir  Ir59  1  0.62703700  0.62703700  0.62703700  1
  Ir  Ir60  1  0.87296300  0.12703700  0.62703700  1
  Ir  Ir61  1  0.12703700  0.62703700  0.87296300  1
  Ir  Ir62  1  0.62703700  0.87296300  0.12703700  1
  Ir  Ir63  1  0.37296300  0.37296300  0.37296300  1
  N  N64  1  0.24373900  0.75626100  0.25626100  1
  N  N65  1  0.75626100  0.25626100  0.24373900  1
  N  N66  1  0.25626100  0.24373900  0.75626100  1
  N  N67  1  0.74373900  0.74373900  0.74373900  1
  N  N68  1  0.75626100  0.24373900  0.74373900  1
  N  N69  1  0.24373900  0.74373900  0.75626100  1
  N  N70  1  0.74373900  0.75626100  0.24373900  1
  N  N71  1  0.25626100  0.25626100  0.25626100  1
  N  N72  1  0.01557700  0.99309700  0.25381600  1
  N  N73  1  0.98442300  0.49309700  0.24618400  1
  N  N74  1  0.48442300  0.00690300  0.75381600  1
  N  N75  1  0.51557700  0.50690300  0.74618400  1
  N  N76  1  0.25381600  0.01557700  0.99309700  1
  N  N77  1  0.24618400  0.98442300  0.49309700  1
  N  N78  1  0.75381600  0.48442300  0.00690300  1
  N  N79  1  0.74618400  0.51557700  0.50690300  1
  N  N80  1  0.99309700  0.25381600  0.01557700  1
  N  N81  1  0.49309700  0.24618400  0.98442300  1
  N  N82  1  0.00690300  0.75381600  0.48442300  1
  N  N83  1  0.50690300  0.74618400  0.51557700  1
  N  N84  1  0.98442300  0.00690300  0.74618400  1
  N  N85  1  0.01557700  0.50690300  0.75381600  1
  N  N86  1  0.51557700  0.99309700  0.24618400  1
  N  N87  1  0.48442300  0.49309700  0.25381600  1
  N  N88  1  0.74618400  0.98442300  0.00690300  1
  N  N89  1  0.75381600  0.01557700  0.50690300  1
  N  N90  1  0.24618400  0.51557700  0.99309700  1
  N  N91  1  0.25381600  0.48442300  0.49309700  1
  N  N92  1  0.00690300  0.74618400  0.98442300  1
  N  N93  1  0.50690300  0.75381600  0.01557700  1
  N  N94  1  0.99309700  0.24618400  0.51557700  1
  N  N95  1  0.49309700  0.25381600  0.48442300  1
