# generated using pymatgen
data_ZrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45859379
_cell_length_b   4.31054524
_cell_length_c   9.98486771
_cell_angle_alpha   90.00000000
_cell_angle_beta   99.97343851
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIr
_chemical_formula_sum   'Zr4 Ir4'
_cell_volume   146.60912144
_cell_formula_units_Z   4
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  0.69497673  0.75000000  0.38995346  1.0
  Zr  Zr1  1  0.43886069  0.75000000  0.87772038  1.0
  Zr  Zr2  1  0.30502327  0.25000000  0.61004654  1.0
  Zr  Zr3  1  0.56113931  0.25000000  0.12227962  1.0
  Ir  Ir4  1  0.05636425  0.75000000  0.11273150  1.0
  Ir  Ir5  1  0.83246983  0.75000000  0.66494066  1.0
  Ir  Ir6  1  0.94363575  0.25000000  0.88726850  1.0
  Ir  Ir7  1  0.16753017  0.25000000  0.33505934  1.0