# generated using pymatgen
data_Ba6LiNb2Ir(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95681000
_cell_length_b   5.95678211
_cell_length_c   15.55815301
_cell_angle_alpha   90.00147652
_cell_angle_beta   90.00236306
_cell_angle_gamma   120.00016597
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6LiNb2Ir(ClO6)2
_chemical_formula_sum   'Ba6 Li1 Nb2 Ir1 Cl2 O12'
_cell_volume   478.09412294
_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  0.33337000  0.66670400  0.36328800  1
  Ba  Ba1  1  0.33333000  0.66665900  0.78901500  1
  Ba  Ba2  1  0.66663600  0.33330400  0.63556500  1
  Ba  Ba3  1  0.66669000  0.33335300  0.89112200  1
  Ba  Ba4  1  0.33333400  0.66666700  0.06647300  1
  Ba  Ba5  1  0.66668000  0.33335100  0.23275700  1
  Li  Li6  1  0.66665300  0.33331900  0.06318100  1
  Nb  Nb7  1  0.00000600  0.00000100  0.81794300  1
  Nb  Nb8  1  0.99999600  0.99999900  0.18349400  1
  Ir  Ir9  1  0.00000500  0.00000200  0.00090400  1
  Cl  Cl10  1  0.66667300  0.33333500  0.42881600  1
  Cl  Cl11  1  0.33333100  0.66666700  0.58078100  1
  O  O12  1  0.15254900  0.30509200  0.91307800  1
  O  O13  1  0.32836200  0.16417700  0.75786400  1
  O  O14  1  0.16117300  0.32236500  0.24527200  1
  O  O15  1  0.83580900  0.67162300  0.75786000  1
  O  O16  1  0.83581700  0.16418300  0.75786300  1
  O  O17  1  0.84193200  0.68386400  0.08833200  1
  O  O18  1  0.16117000  0.83880900  0.24526900  1
  O  O19  1  0.31612600  0.15806300  0.08834700  1
  O  O20  1  0.84193100  0.15806300  0.08834000  1
  O  O21  1  0.69491600  0.84745900  0.91307000  1
  O  O22  1  0.67762600  0.83881500  0.24525900  1
  O  O23  1  0.15255200  0.84745700  0.91307100  1
