# generated using pymatgen
data_Zr4Ir2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78735445
_cell_length_b   8.78736234
_cell_length_c   8.78738897
_cell_angle_alpha   59.99998653
_cell_angle_beta   59.99996018
_cell_angle_gamma   59.99987484
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Ir2N
_chemical_formula_sum   'Zr16 Ir8 N4'
_cell_volume   479.80077638
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.12496285  0.62502382  0.62500863  1.0
  Zr  Zr1  1  0.62500789  0.12494575  0.62502544  1.0
  Zr  Zr2  1  0.62500106  0.62503362  0.12495371  1.0
  Zr  Zr3  1  0.62499947  0.62503131  0.62501298  1.0
  Zr  Zr4  1  0.81641616  0.81642605  0.18357775  1.0
  Zr  Zr5  1  0.18358936  0.18356371  0.81642307  1.0
  Zr  Zr6  1  0.81642243  0.18356850  0.81642482  1.0
  Zr  Zr7  1  0.18358510  0.81642443  0.18357268  1.0
  Zr  Zr8  1  0.18358553  0.81642326  0.81641574  1.0
  Zr  Zr9  1  0.81642351  0.18356818  0.18358162  1.0
  Zr  Zr10  1  0.43358432  0.43359568  0.06640746  1.0
  Zr  Zr11  1  0.06642356  0.06639758  0.43359040  1.0
  Zr  Zr12  1  0.43358787  0.06639909  0.43359539  1.0
  Zr  Zr13  1  0.06641856  0.43359085  0.06640579  1.0
  Zr  Zr14  1  0.06641602  0.43358958  0.43358583  1.0
  Zr  Zr15  1  0.43358871  0.06640196  0.06641526  1.0
  Ir  Ir16  1  0.77263399  0.40912654  0.40912045  1.0
  Ir  Ir17  1  0.40912006  0.77264246  0.40911960  1.0
  Ir  Ir18  1  0.40911823  0.40912382  0.77264154  1.0
  Ir  Ir19  1  0.40911841  0.40912383  0.40911799  1.0
  Ir  Ir20  1  0.47736186  0.84087923  0.84087820  1.0
  Ir  Ir21  1  0.84087370  0.47736892  0.84087756  1.0
  Ir  Ir22  1  0.84087580  0.84088109  0.47736613  1.0
  Ir  Ir23  1  0.84087639  0.84088058  0.84087988  1.0
  N  N24  1  0.62499955  0.12499619  0.12500149  1.0
  N  N25  1  0.12500055  0.62500538  0.12499634  1.0
  N  N26  1  0.12500368  0.12499396  0.62500199  1.0
  N  N27  1  0.12500440  0.12499465  0.12499927  1.0