# generated using pymatgen
data_Zr3Nb3Al16Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61748730
_cell_length_b   8.61748716
_cell_length_c   8.61754114
_cell_angle_alpha   60.00020905
_cell_angle_beta   60.00020723
_cell_angle_gamma   59.99999363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Nb3Al16Ir7
_chemical_formula_sum   'Zr3 Nb3 Al16 Ir7'
_cell_volume   452.51294753
_cell_formula_units_Z   1
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  0.31154927  0.31154927  0.68817043  1.0
  Zr  Zr1  1  0.68873104  0.31154927  0.68817043  1.0
  Zr  Zr2  1  0.31154927  0.68873104  0.68817043  1.0
  Nb  Nb3  1  0.67725232  0.67725232  0.32076675  1.0
  Nb  Nb4  1  0.32472961  0.67725232  0.32076675  1.0
  Nb  Nb5  1  0.67725232  0.32472961  0.32076675  1.0
  Al  Al6  1  0.88158341  0.88158341  0.35524976  1.0
  Al  Al7  1  0.87835248  0.36061090  0.88268514  1.0
  Al  Al8  1  0.36061090  0.87835248  0.88268514  1.0
  Al  Al9  1  0.87835248  0.87835248  0.88268514  1.0
  Al  Al10  1  0.12121694  0.12121694  0.63634719  1.0
  Al  Al11  1  0.11750740  0.64225061  0.12273258  1.0
  Al  Al12  1  0.64225061  0.11750740  0.12273258  1.0
  Al  Al13  1  0.11750740  0.11750740  0.12273258  1.0
  Al  Al14  1  0.66308635  0.66308635  0.01074094  1.0
  Al  Al15  1  0.66461805  0.01213200  0.65863091  1.0
  Al  Al16  1  0.01213200  0.66461805  0.65863091  1.0
  Al  Al17  1  0.66461805  0.66461805  0.65863091  1.0
  Al  Al18  1  0.33649040  0.33649040  0.99053080  1.0
  Al  Al19  1  0.33918147  0.98784411  0.33379395  1.0
  Al  Al20  1  0.98784411  0.33918147  0.33379395  1.0
  Al  Al21  1  0.33918147  0.33918147  0.33379395  1.0
  Ir  Ir22  1  0.00152565  0.00152565  0.99542404  1.0
  Ir  Ir23  1  0.00152266  0.00152266  0.49651312  1.0
  Ir  Ir24  1  0.50044156  0.00152266  0.49651312  1.0
  Ir  Ir25  1  0.00152266  0.50044156  0.49651312  1.0
  Ir  Ir26  1  0.50158740  0.50158740  0.00060988  1.0
  Ir  Ir27  1  0.99621532  0.50158740  0.00060988  1.0
  Ir  Ir28  1  0.50158740  0.99621532  0.00060988  1.0