# generated using pymatgen
data_Ba6LiNb2Ir(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06167301
_cell_length_b   6.06102199
_cell_length_c   15.08197804
_cell_angle_alpha   89.99578239
_cell_angle_beta   89.99585019
_cell_angle_gamma   120.00068085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6LiNb2Ir(ClO6)2
_chemical_formula_sum   'Ba6 Li1 Nb2 Ir1 Cl2 O12'
_cell_volume   479.87079136
_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  0.33336800  0.66668900  0.35678500  1
  Ba  Ba1  1  0.33331300  0.66668100  0.79439200  1
  Ba  Ba2  1  0.66663200  0.33331100  0.64321500  1
  Ba  Ba3  1  0.66663800  0.33332000  0.93229600  1
  Ba  Ba4  1  0.33336200  0.66668000  0.06770400  1
  Ba  Ba5  1  0.66668700  0.33331900  0.20560800  1
  Li  Li6  1  0.00000000  0.00000000  0.50000000  1
  Nb  Nb7  1  0.99994600  0.99992300  0.81665600  1
  Nb  Nb8  1  0.00005400  0.00007700  0.18334400  1
  Ir  Ir9  1  0.00000000  0.00000000  0.00000000  1
  Cl  Cl10  1  0.66671100  0.33333000  0.42821600  1
  Cl  Cl11  1  0.33328900  0.66667000  0.57178400  1
  O  O12  1  0.15468300  0.30935900  0.91626400  1
  O  O13  1  0.32090400  0.16045300  0.75670600  1
  O  O14  1  0.16045700  0.32094000  0.24331400  1
  O  O15  1  0.83954300  0.67906000  0.75668600  1
  O  O16  1  0.83955100  0.16047200  0.75671300  1
  O  O17  1  0.84531700  0.69064100  0.08373600  1
  O  O18  1  0.16044900  0.83952800  0.24328700  1
  O  O19  1  0.30937300  0.15469900  0.08378300  1
  O  O20  1  0.84529300  0.15471200  0.08378600  1
  O  O21  1  0.69062700  0.84530100  0.91621700  1
  O  O22  1  0.67909600  0.83954700  0.24329400  1
  O  O23  1  0.15470700  0.84528800  0.91621400  1
