# generated using pymatgen
data_Ba(BIr2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54183880
_cell_length_b   6.54183895
_cell_length_c   6.54184000
_cell_angle_alpha   103.56070190
_cell_angle_beta   103.56070234
_cell_angle_gamma   103.56070223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(BIr2)6
_chemical_formula_sum   'Ba1 B6 Ir12'
_cell_volume   251.85432799
_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  0.00000000  0.00000000  0.00000000  1.0
  B  B1  1  0.22766133  0.66100413  0.22766233  1.0
  B  B2  1  0.66100413  0.22766133  0.22766233  1.0
  B  B3  1  0.77233767  0.77233767  0.33899687  1.0
  B  B4  1  0.22766133  0.22766133  0.66100413  1.0
  B  B5  1  0.77233767  0.33899587  0.77233767  1.0
  B  B6  1  0.33899587  0.77233767  0.77233767  1.0
  Ir  Ir7  1  0.86475822  0.50000100  0.13524278  1.0
  Ir  Ir8  1  0.50000100  0.86475822  0.13524278  1.0
  Ir  Ir9  1  0.45202771  0.45202771  0.18614537  1.0
  Ir  Ir10  1  0.18614637  0.45202771  0.45202771  1.0
  Ir  Ir11  1  0.45202771  0.18614637  0.45202771  1.0
  Ir  Ir12  1  0.86475722  0.13524378  0.50000100  1.0
  Ir  Ir13  1  0.13524378  0.86475722  0.50000100  1.0
  Ir  Ir14  1  0.81385363  0.54797229  0.54797229  1.0
  Ir  Ir15  1  0.54797229  0.81385363  0.54797229  1.0
  Ir  Ir16  1  0.54797229  0.54797229  0.81385363  1.0
  Ir  Ir17  1  0.50000100  0.13524278  0.86475822  1.0
  Ir  Ir18  1  0.13524278  0.50000100  0.86475822  1.0