# generated using pymatgen
data_Zn22CuIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65819297
_cell_length_b   7.65819428
_cell_length_c   7.65050071
_cell_angle_alpha   72.38265060
_cell_angle_beta   72.38264708
_cell_angle_gamma   58.27843643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn22CuIr2
_chemical_formula_sum   'Zn22 Cu1 Ir2'
_cell_volume   358.01263592
_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
  Zn  Zn0  1  0.34613699  0.73610206  0.31106120  1.0
  Zn  Zn1  1  0.65631602  0.26043907  0.68527248  1.0
  Zn  Zn2  1  0.26043907  0.65631602  0.68527248  1.0
  Zn  Zn3  1  0.73610206  0.34613699  0.31106120  1.0
  Zn  Zn4  1  0.68057628  0.32167461  0.99852957  1.0
  Zn  Zn5  1  0.32167461  0.68057628  0.99852957  1.0
  Zn  Zn6  1  0.82906752  0.82906752  0.78759913  1.0
  Zn  Zn7  1  0.17018341  0.17018341  0.21866336  1.0
  Zn  Zn8  1  0.97599377  0.97599377  0.17126977  1.0
  Zn  Zn9  1  0.02576671  0.02576671  0.82672823  1.0
  Zn  Zn10  1  0.35811297  0.35811297  0.27589553  1.0
  Zn  Zn11  1  0.64675710  0.64675710  0.72693433  1.0
  Zn  Zn12  1  0.68517015  0.68517015  0.37867547  1.0
  Zn  Zn13  1  0.31153667  0.31153667  0.62171232  1.0
  Zn  Zn14  1  0.65965760  0.02305119  0.45712670  1.0
  Zn  Zn15  1  0.34504748  0.97210895  0.54154695  1.0
  Zn  Zn16  1  0.97210895  0.34504748  0.54154695  1.0
  Zn  Zn17  1  0.02305119  0.65965760  0.45712670  1.0
  Zn  Zn18  1  0.62265106  0.99400741  0.10428085  1.0
  Zn  Zn19  1  0.38528936  0.99569072  0.89666672  1.0
  Zn  Zn20  1  0.99569072  0.38528936  0.89666672  1.0
  Zn  Zn21  1  0.99400741  0.62265106  0.10428085  1.0
  Cu  Cu22  1  0.65691582  0.65691582  0.05680712  1.0
  Ir  Ir23  1  0.34146085  0.34146085  0.94585653  1.0
  Ir  Ir24  1  0.00028424  0.00028424  0.50089024  1.0