# generated using pymatgen
data_Zr9NbRe3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84911368
_cell_length_b   8.84911334
_cell_length_c   8.50808082
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr9NbRe3Ir
_chemical_formula_sum   'Zr18 Nb2 Re6 Ir2'
_cell_volume   576.98133660
_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  0.19715742  0.80284258  0.44486534  1.0
  Zr  Zr1  1  0.19715742  0.39431584  0.44486534  1.0
  Zr  Zr2  1  0.60568416  0.80284258  0.44486534  1.0
  Zr  Zr3  1  0.80284258  0.19715742  0.55513466  1.0
  Zr  Zr4  1  0.80284258  0.60568416  0.55513466  1.0
  Zr  Zr5  1  0.39431584  0.19715742  0.55513466  1.0
  Zr  Zr6  1  0.80284258  0.19715742  0.94486534  1.0
  Zr  Zr7  1  0.80284258  0.60568416  0.94486534  1.0
  Zr  Zr8  1  0.39431584  0.19715742  0.94486534  1.0
  Zr  Zr9  1  0.19715742  0.80284258  0.05513466  1.0
  Zr  Zr10  1  0.19715742  0.39431584  0.05513466  1.0
  Zr  Zr11  1  0.60568416  0.80284258  0.05513466  1.0
  Zr  Zr12  1  0.54140067  0.45859933  0.25000000  1.0
  Zr  Zr13  1  0.54140067  0.08280034  0.25000000  1.0
  Zr  Zr14  1  0.91719966  0.45859933  0.25000000  1.0
  Zr  Zr15  1  0.45859933  0.54140067  0.75000000  1.0
  Zr  Zr16  1  0.45859933  0.91719966  0.75000000  1.0
  Zr  Zr17  1  0.08280034  0.54140067  0.75000000  1.0
  Nb  Nb18  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb19  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re20  1  0.88879074  0.11120926  0.25000000  1.0
  Re  Re21  1  0.88879074  0.77758147  0.25000000  1.0
  Re  Re22  1  0.22241853  0.11120926  0.25000000  1.0
  Re  Re23  1  0.11120926  0.88879074  0.75000000  1.0
  Re  Re24  1  0.11120926  0.22241853  0.75000000  1.0
  Re  Re25  1  0.77758147  0.88879074  0.75000000  1.0
  Ir  Ir26  1  0.33333300  0.66666700  0.25000000  1.0
  Ir  Ir27  1  0.66666700  0.33333300  0.75000000  1.0