# generated using pymatgen
data_SiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23541299
_cell_length_b   5.55681317
_cell_length_c   6.30428368
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiIr
_chemical_formula_sum   'Si4 Ir4'
_cell_volume   113.34210324
_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
  Si  Si0  1  0.25000000  0.68203250  0.93799901  1.0
  Si  Si1  1  0.75000000  0.31796750  0.06200099  1.0
  Si  Si2  1  0.25000000  0.18203250  0.56200099  1.0
  Si  Si3  1  0.75000000  0.81796750  0.43799901  1.0
  Ir  Ir4  1  0.25000000  0.50122085  0.29440344  1.0
  Ir  Ir5  1  0.75000000  0.49877915  0.70559656  1.0
  Ir  Ir6  1  0.25000000  0.00122085  0.20559656  1.0
  Ir  Ir7  1  0.75000000  0.99877915  0.79440344  1.0