# generated using pymatgen
data_CdIrCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42610650
_cell_length_b   6.42602841
_cell_length_c   11.56007043
_cell_angle_alpha   89.99672779
_cell_angle_beta   89.99503706
_cell_angle_gamma   119.99620265
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIrCl6
_chemical_formula_sum   'Cd2 Ir2 Cl12'
_cell_volume   413.42647471
_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
  Cd  Cd0  1  0.00000487  0.00006238  0.24999020  1.0
  Cd  Cd1  1  0.99999513  0.99993762  0.75000980  1.0
  Ir  Ir2  1  0.33338780  0.66679798  0.24998691  1.0
  Ir  Ir3  1  0.66661220  0.33320202  0.75001309  1.0
  Cl  Cl4  1  0.62987230  0.96238104  0.13323038  1.0
  Cl  Cl5  1  0.03760530  0.66751108  0.13321706  1.0
  Cl  Cl6  1  0.33252115  0.37008119  0.13322386  1.0
  Cl  Cl7  1  0.03761123  0.37007516  0.36675335  1.0
  Cl  Cl8  1  0.37008669  0.33251547  0.63323862  1.0
  Cl  Cl9  1  0.66750676  0.03762785  0.63325469  1.0
  Cl  Cl10  1  0.96238877  0.62992484  0.63324665  1.0
  Cl  Cl11  1  0.66747885  0.62991881  0.86677614  1.0
  Cl  Cl12  1  0.96239470  0.33248892  0.86678294  1.0
  Cl  Cl13  1  0.37012770  0.03761896  0.86676962  1.0
  Cl  Cl14  1  0.62991331  0.66748453  0.36676138  1.0
  Cl  Cl15  1  0.33249324  0.96237215  0.36674531  1.0