# generated using pymatgen
data_Ba6LiNb2Ir(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96360700
_cell_length_b   5.96359255
_cell_length_c   15.55977500
_cell_angle_alpha   90.00054776
_cell_angle_beta   90.00126703
_cell_angle_gamma   119.99971456
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6LiNb2Ir(ClO6)2
_chemical_formula_sum   'Ba6 Li1 Nb2 Ir1 Cl2 O12'
_cell_volume   479.23902140
_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
  Ba  Ba0  1  0.33336400  0.66669200  0.38087100  1
  Ba  Ba1  1  0.33332100  0.66665600  0.78724600  1
  Ba  Ba2  1  0.66664900  0.33331900  0.64052400  1
  Ba  Ba3  1  0.66667000  0.33333700  0.91868700  1
  Ba  Ba4  1  0.33334700  0.66667800  0.03594100  1
  Ba  Ba5  1  0.66667300  0.33333900  0.20719700  1
  Li  Li6  1  0.33332100  0.66665700  0.20944300  1
  Nb  Nb7  1  0.99999900  0.99999900  0.81732900  1
  Nb  Nb8  1  0.00000000  0.00000100  0.18286900  1
  Ir  Ir9  1  0.00000400  0.00000100  0.00105700  1
  Cl  Cl10  1  0.66666800  0.33333100  0.42528500  1
  Cl  Cl11  1  0.33332700  0.66666300  0.58163300  1
  O  O12  1  0.15489800  0.30979300  0.91297100  1
  O  O13  1  0.32696500  0.16348300  0.75901400  1
  O  O14  1  0.16399900  0.32799800  0.24693700  1
  O  O15  1  0.83650800  0.67302800  0.75901100  1
  O  O16  1  0.83651000  0.16347900  0.75901200  1
  O  O17  1  0.84826900  0.69653400  0.08832900  1
  O  O18  1  0.16399400  0.83600000  0.24693300  1
  O  O19  1  0.30347300  0.15173700  0.08833500  1
  O  O20  1  0.84827100  0.15173500  0.08833100  1
  O  O21  1  0.69020800  0.84510300  0.91296800  1
  O  O22  1  0.67199900  0.83599900  0.24692800  1
  O  O23  1  0.15489700  0.84510400  0.91297000  1
