# generated using pymatgen
data_Zr2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84081353
_cell_length_b   8.84081353
_cell_length_c   8.84081646
_cell_angle_alpha   59.99998905
_cell_angle_beta   59.99998905
_cell_angle_gamma   59.99997809
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ir
_chemical_formula_sum   'Zr16 Ir8'
_cell_volume   488.60926092
_cell_formula_units_Z   8
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  0.12500000  0.62500000  0.62500000  1.0
  Zr  Zr1  1  0.62500000  0.12500000  0.62500000  1.0
  Zr  Zr2  1  0.62500000  0.62500000  0.12500000  1.0
  Zr  Zr3  1  0.62500000  0.62500000  0.62500000  1.0
  Zr  Zr4  1  0.81292919  0.81292919  0.18707081  1.0
  Zr  Zr5  1  0.18707081  0.18707081  0.81292919  1.0
  Zr  Zr6  1  0.81292919  0.18707081  0.81292919  1.0
  Zr  Zr7  1  0.18707081  0.81292919  0.18707081  1.0
  Zr  Zr8  1  0.18707081  0.81292919  0.81292919  1.0
  Zr  Zr9  1  0.81292919  0.18707081  0.18707081  1.0
  Zr  Zr10  1  0.43707081  0.43707081  0.06292919  1.0
  Zr  Zr11  1  0.06292919  0.06292919  0.43707081  1.0
  Zr  Zr12  1  0.43707081  0.06292919  0.43707081  1.0
  Zr  Zr13  1  0.06292919  0.43707081  0.06292919  1.0
  Zr  Zr14  1  0.06292919  0.43707081  0.43707081  1.0
  Zr  Zr15  1  0.43707081  0.06292919  0.06292919  1.0
  Ir  Ir16  1  0.79675090  0.40108303  0.40108303  1.0
  Ir  Ir17  1  0.40108303  0.79675090  0.40108303  1.0
  Ir  Ir18  1  0.40108303  0.40108303  0.79675190  1.0
  Ir  Ir19  1  0.40108303  0.40108303  0.40108303  1.0
  Ir  Ir20  1  0.45324910  0.84891697  0.84891697  1.0
  Ir  Ir21  1  0.84891697  0.45324910  0.84891697  1.0
  Ir  Ir22  1  0.84891697  0.84891697  0.45324810  1.0
  Ir  Ir23  1  0.84891697  0.84891697  0.84891697  1.0