# generated using pymatgen
data_Ni3Mo6IrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66808262
_cell_length_b   6.66406229
_cell_length_c   6.66412176
_cell_angle_alpha   89.89038145
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Mo6IrN2
_chemical_formula_sum   'Ni6 Mo12 Ir2 N4'
_cell_volume   296.12982411
_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
  Ni  Ni0  1  0.18427792  0.31688483  0.56442794  1.0
  Ni  Ni1  1  0.68427792  0.68311517  0.43557206  1.0
  Ni  Ni2  1  0.93713551  0.43983067  0.32072826  1.0
  Ni  Ni3  1  0.56376615  0.93131593  0.19404233  1.0
  Ni  Ni4  1  0.43713551  0.56016933  0.67927174  1.0
  Ni  Ni5  1  0.06376615  0.06868407  0.80595767  1.0
  Mo  Mo6  1  0.37465918  0.95004320  0.54698623  1.0
  Mo  Mo7  1  0.87465918  0.04995680  0.45301377  1.0
  Mo  Mo8  1  0.12526382  0.44670963  0.94996791  1.0
  Mo  Mo9  1  0.62526382  0.55329037  0.05003209  1.0
  Mo  Mo10  1  0.79866102  0.37797306  0.69757596  1.0
  Mo  Mo11  1  0.70247902  0.87242269  0.80019313  1.0
  Mo  Mo12  1  0.20247902  0.12757731  0.19980687  1.0
  Mo  Mo13  1  0.29866102  0.62202694  0.30242404  1.0
  Mo  Mo14  1  0.94791415  0.79745251  0.12678318  1.0
  Mo  Mo15  1  0.05073245  0.70084830  0.62414645  1.0
  Mo  Mo16  1  0.44791415  0.20254749  0.87321682  1.0
  Mo  Mo17  1  0.55073245  0.29915170  0.37585355  1.0
  Ir  Ir18  1  0.31595989  0.81564006  0.93264067  1.0
  Ir  Ir19  1  0.81595989  0.18435994  0.06735933  1.0
  N  N20  1  0.62462821  0.12568490  0.62532398  1.0
  N  N21  1  0.12462821  0.87431510  0.37467602  1.0
  N  N22  1  0.87452367  0.62488973  0.87625762  1.0
  N  N23  1  0.37452367  0.37511027  0.12374238  1.0