# generated using pymatgen
data_Ba6LiNb2Ir(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17582625
_cell_length_b   6.17588691
_cell_length_c   15.25376640
_cell_angle_alpha   92.61848199
_cell_angle_beta   87.38361706
_cell_angle_gamma   123.50389588
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6LiNb2Ir(ClO6)2
_chemical_formula_sum   'Ba6 Li1 Nb2 Ir1 Cl2 O12'
_cell_volume   484.47812854
_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  0.32719200  0.67283800  0.36875300  1
  Ba  Ba1  1  0.33007100  0.66992100  0.78738600  1
  Ba  Ba2  1  0.68129000  0.31868800  0.63747200  1
  Ba  Ba3  1  0.64100100  0.35901300  0.91938500  1
  Ba  Ba4  1  0.29871900  0.70132300  0.03933600  1
  Ba  Ba5  1  0.70569200  0.29432000  0.21624600  1
  Li  Li6  1  0.46581200  0.53412200  0.17066800  1
  Nb  Nb7  1  0.99806800  0.00193300  0.81463800  1
  Nb  Nb8  1  0.01351400  0.98646700  0.18464900  1
  Ir  Ir9  1  0.99772400  0.00228900  0.00260700  1
  Cl  Cl10  1  0.67400500  0.32600500  0.42465200  1
  Cl  Cl11  1  0.33098700  0.66900000  0.57944100  1
  O  O12  1  0.15941400  0.30898600  0.91605900  1
  O  O13  1  0.33096300  0.16647100  0.75736300  1
  O  O14  1  0.17075500  0.32093800  0.24822600  1
  O  O15  1  0.83355200  0.66903600  0.75735900  1
  O  O16  1  0.84480600  0.15518000  0.75758000  1
  O  O17  1  0.82288700  0.68450000  0.08975600  1
  O  O18  1  0.16703400  0.83295200  0.23995000  1
  O  O19  1  0.31550800  0.17713500  0.08976700  1
  O  O20  1  0.84945700  0.15053900  0.08921400  1
  O  O21  1  0.69102600  0.84058600  0.91605500  1
  O  O22  1  0.67903600  0.82921300  0.24821500  1
  O  O23  1  0.15065600  0.84937700  0.91040200  1
