# generated using pymatgen
data_ZrSiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96514459
_cell_length_b   6.56922790
_cell_length_c   7.39564063
_cell_angle_alpha   90.00002766
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSiIr
_chemical_formula_sum   'Zr4 Si4 Ir4'
_cell_volume   192.64119206
_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  0.25000000  0.01678878  0.31744185  1.0
  Zr  Zr1  1  0.25000000  0.51679467  0.18264320  1.0
  Zr  Zr2  1  0.75000000  0.98321141  0.68255836  1.0
  Zr  Zr3  1  0.75000000  0.48321185  0.81735225  1.0
  Si  Si4  1  0.25000000  0.27936219  0.61724802  1.0
  Si  Si5  1  0.25000000  0.77938114  0.88273684  1.0
  Si  Si6  1  0.75000000  0.72063489  0.38275532  1.0
  Si  Si7  1  0.75000000  0.22061820  0.11725988  1.0
  Ir  Ir8  1  0.25000000  0.15134146  0.93338837  1.0
  Ir  Ir9  1  0.25000000  0.65132870  0.56660004  1.0
  Ir  Ir10  1  0.75000000  0.84865870  0.06660296  1.0
  Ir  Ir11  1  0.75000000  0.34866901  0.43341292  1.0