# generated using pymatgen
data_Zr4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13221134
_cell_length_b   7.13221134
_cell_length_c   7.13221134
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Ir
_chemical_formula_sum   'Zr8 Ir2'
_cell_volume   256.54148959
_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  0.39254500  0.39254500  0.39254500  1.0
  Zr  Zr1  1  0.39254500  0.39254500  0.82236400  1.0
  Zr  Zr2  1  0.39254500  0.82236400  0.39254500  1.0
  Zr  Zr3  1  0.85745500  0.85745500  0.42763600  1.0
  Zr  Zr4  1  0.85745500  0.85745500  0.85745500  1.0
  Zr  Zr5  1  0.82236400  0.39254500  0.39254500  1.0
  Zr  Zr6  1  0.85745500  0.42763600  0.85745500  1.0
  Zr  Zr7  1  0.42763600  0.85745500  0.85745500  1.0
  Ir  Ir8  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir9  1  0.25000000  0.25000000  0.25000000  1.0