# generated using pymatgen
data_Si3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77763587
_cell_length_b   4.77763587
_cell_length_c   6.42282600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999825
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3Ir
_chemical_formula_sum   'Si6 Ir2'
_cell_volume   126.96467057
_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
  Si  Si0  1  0.66543500  0.83271700  0.58145900  1.0
  Si  Si1  1  0.33456500  0.16728300  0.08145900  1.0
  Si  Si2  1  0.83271700  0.66543500  0.08145900  1.0
  Si  Si3  1  0.16728300  0.83271700  0.58145900  1.0
  Si  Si4  1  0.83271700  0.16728300  0.08145900  1.0
  Si  Si5  1  0.16728300  0.33456500  0.58145900  1.0
  Ir  Ir6  1  0.66666700  0.33333300  0.75462200  1.0
  Ir  Ir7  1  0.33333300  0.66666700  0.25462200  1.0