# generated using pymatgen
data_Zr8CuIr3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76218508
_cell_length_b   8.76218510
_cell_length_c   8.73283823
_cell_angle_alpha   60.11073103
_cell_angle_beta   60.11073097
_cell_angle_gamma   60.28870401
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8CuIr3N2
_chemical_formula_sum   'Zr16 Cu2 Ir6 N4'
_cell_volume   475.91776974
_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
  Zr  Zr0  1  0.13841393  0.62247520  0.61955543  1.0
  Zr  Zr1  1  0.62247520  0.13841393  0.61955543  1.0
  Zr  Zr2  1  0.61962478  0.61962478  0.14157591  1.0
  Zr  Zr3  1  0.61962478  0.61962478  0.61917454  1.0
  Zr  Zr4  1  0.81808342  0.81808342  0.18191658  1.0
  Zr  Zr5  1  0.18403854  0.18403854  0.81596146  1.0
  Zr  Zr6  1  0.81776915  0.18312178  0.81703242  1.0
  Zr  Zr7  1  0.18312178  0.81776915  0.18207665  1.0
  Zr  Zr8  1  0.18312178  0.81776915  0.81703242  1.0
  Zr  Zr9  1  0.81776915  0.18312178  0.18207665  1.0
  Zr  Zr10  1  0.43682402  0.43682402  0.06317598  1.0
  Zr  Zr11  1  0.06741408  0.06741408  0.43258592  1.0
  Zr  Zr12  1  0.43584690  0.06668466  0.43501917  1.0
  Zr  Zr13  1  0.06668466  0.43584690  0.06245028  1.0
  Zr  Zr14  1  0.06668466  0.43584690  0.43501917  1.0
  Zr  Zr15  1  0.43584690  0.06668466  0.06245028  1.0
  Cu  Cu16  1  0.78687705  0.40314013  0.40499141  1.0
  Cu  Cu17  1  0.40314013  0.78687705  0.40499141  1.0
  Ir  Ir18  1  0.40124412  0.40124412  0.79065418  1.0
  Ir  Ir19  1  0.40124412  0.40124412  0.40685958  1.0
  Ir  Ir20  1  0.49264653  0.83322945  0.83706151  1.0
  Ir  Ir21  1  0.83322945  0.49264653  0.83706151  1.0
  Ir  Ir22  1  0.83481924  0.83481924  0.49139518  1.0
  Ir  Ir23  1  0.83481924  0.83481924  0.83896534  1.0
  N  N24  1  0.62514164  0.12409409  0.12538164  1.0
  N  N25  1  0.12409409  0.62514164  0.12538164  1.0
  N  N26  1  0.12470184  0.12470184  0.62581055  1.0
  N  N27  1  0.12470184  0.12470184  0.12478776  1.0