# generated using pymatgen
data_TiSiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85645518
_cell_length_b   6.26124255
_cell_length_c   7.20684568
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiIr
_chemical_formula_sum   'Ti4 Si4 Ir4'
_cell_volume   174.01794628
_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
  Ti  Ti0  1  0.25000000  0.02309211  0.81996656  1.0
  Ti  Ti1  1  0.25000000  0.52309211  0.68003344  1.0
  Ti  Ti2  1  0.75000000  0.97690789  0.18003344  1.0
  Ti  Ti3  1  0.75000000  0.47690789  0.31996656  1.0
  Si  Si4  1  0.25000000  0.77260632  0.37655377  1.0
  Si  Si5  1  0.25000000  0.27260632  0.12344623  1.0
  Si  Si6  1  0.75000000  0.22739368  0.62344623  1.0
  Si  Si7  1  0.75000000  0.72739368  0.87655377  1.0
  Ir  Ir8  1  0.25000000  0.15637098  0.43776816  1.0
  Ir  Ir9  1  0.25000000  0.65637098  0.06223184  1.0
  Ir  Ir10  1  0.75000000  0.84362902  0.56223184  1.0
  Ir  Ir11  1  0.75000000  0.34362902  0.93776816  1.0