# generated using pymatgen
data_KNi6(BIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28636772
_cell_length_b   6.28636706
_cell_length_c   6.28636788
_cell_angle_alpha   103.31772449
_cell_angle_beta   103.31772107
_cell_angle_gamma   103.31770039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi6(BIr)6
_chemical_formula_sum   'K1 Ni6 B6 Ir6'
_cell_volume   224.46204261
_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
  K  K0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.53981413  0.79887658  0.53981413  1.0
  Ni  Ni2  1  0.53981413  0.53981413  0.79887658  1.0
  Ni  Ni3  1  0.79887658  0.53981413  0.53981413  1.0
  Ni  Ni4  1  0.46018587  0.20112342  0.46018587  1.0
  Ni  Ni5  1  0.46018587  0.46018587  0.20112342  1.0
  Ni  Ni6  1  0.20112342  0.46018587  0.46018587  1.0
  B  B7  1  0.76976443  0.34542739  0.76976443  1.0
  B  B8  1  0.76976443  0.76976443  0.34542739  1.0
  B  B9  1  0.34542739  0.76976443  0.76976443  1.0
  B  B10  1  0.23023557  0.65457261  0.23023557  1.0
  B  B11  1  0.23023557  0.23023557  0.65457261  1.0
  B  B12  1  0.65457261  0.23023557  0.23023557  1.0
  Ir  Ir13  1  0.13902418  0.86097582  0.50000000  1.0
  Ir  Ir14  1  0.50000000  0.13902418  0.86097582  1.0
  Ir  Ir15  1  0.86097582  0.50000000  0.13902418  1.0
  Ir  Ir16  1  0.50000000  0.86097582  0.13902418  1.0
  Ir  Ir17  1  0.13902418  0.50000000  0.86097582  1.0
  Ir  Ir18  1  0.86097582  0.13902418  0.50000000  1.0