# generated using pymatgen
data_BaIrCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40068986
_cell_length_b   6.40069137
_cell_length_c   10.91229913
_cell_angle_alpha   86.52553472
_cell_angle_beta   86.52553030
_cell_angle_gamma   83.13897632
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIrCl6
_chemical_formula_sum   'Ba2 Ir2 Cl12'
_cell_volume   442.40408611
_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
  Ba  Ba0  1  0.01588830  0.98411170  0.75000000  1.0
  Ba  Ba1  1  0.98411170  0.01588830  0.25000000  1.0
  Ir  Ir2  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir3  1  0.00000000  0.50000000  0.00000000  1.0
  Cl  Cl4  1  0.34137899  0.70875421  0.57326721  1.0
  Cl  Cl5  1  0.65862101  0.29124579  0.42673279  1.0
  Cl  Cl6  1  0.29124579  0.65862101  0.92673279  1.0
  Cl  Cl7  1  0.70875421  0.34137899  0.07326721  1.0
  Cl  Cl8  1  0.51351232  0.09930028  0.70400168  1.0
  Cl  Cl9  1  0.48648768  0.90069972  0.29599832  1.0
  Cl  Cl10  1  0.90069971  0.48648768  0.79599831  1.0
  Cl  Cl11  1  0.09930029  0.51351232  0.20400169  1.0
  Cl  Cl12  1  0.79690523  0.82880284  0.00995492  1.0
  Cl  Cl13  1  0.20309477  0.17119716  0.99004508  1.0
  Cl  Cl14  1  0.17119716  0.20309477  0.49004508  1.0
  Cl  Cl15  1  0.82880284  0.79690523  0.50995492  1.0