# generated using pymatgen
data_TiIn6IrCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70906368
_cell_length_b   8.70906326
_cell_length_c   8.70906350
_cell_angle_alpha   104.95927884
_cell_angle_beta   104.95927032
_cell_angle_gamma   104.95928328
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn6IrCl12
_chemical_formula_sum   'Ti1 In6 Ir1 Cl12'
_cell_volume   578.02221437
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.50000000  1.0
  In  In1  1  0.05362136  0.06422031  0.31994841  1.0
  In  In2  1  0.31994841  0.05362136  0.06422031  1.0
  In  In3  1  0.06422031  0.31994841  0.05362136  1.0
  In  In4  1  0.94637864  0.93577969  0.68005159  1.0
  In  In5  1  0.68005159  0.94637864  0.93577969  1.0
  In  In6  1  0.93577969  0.68005159  0.94637864  1.0
  Ir  Ir7  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl8  1  0.95368710  0.54490602  0.17967612  1.0
  Cl  Cl9  1  0.17967612  0.95368710  0.54490602  1.0
  Cl  Cl10  1  0.54490602  0.17967612  0.95368710  1.0
  Cl  Cl11  1  0.04631290  0.45509398  0.82032388  1.0
  Cl  Cl12  1  0.82032388  0.04631290  0.45509398  1.0
  Cl  Cl13  1  0.45509398  0.82032388  0.04631290  1.0
  Cl  Cl14  1  0.50387775  0.21581018  0.38297536  1.0
  Cl  Cl15  1  0.38297536  0.50387775  0.21581018  1.0
  Cl  Cl16  1  0.21581018  0.38297536  0.50387775  1.0
  Cl  Cl17  1  0.49612225  0.78418982  0.61702464  1.0
  Cl  Cl18  1  0.61702464  0.49612225  0.78418982  1.0
  Cl  Cl19  1  0.78418982  0.61702464  0.49612225  1.0