# generated using pymatgen
data_AcNi6(BIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31441623
_cell_length_b   6.31441683
_cell_length_c   6.31441683
_cell_angle_alpha   103.55620380
_cell_angle_beta   103.55620423
_cell_angle_gamma   103.55620327
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcNi6(BIr)6
_chemical_formula_sum   'Ac1 Ni6 B6 Ir6'
_cell_volume   226.50879611
_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
  Ac  Ac0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.79574801  0.54016366  0.54016366  1.0
  Ni  Ni2  1  0.54016366  0.54016366  0.79574801  1.0
  Ni  Ni3  1  0.54016366  0.79574801  0.54016366  1.0
  Ni  Ni4  1  0.20425199  0.45983634  0.45983634  1.0
  Ni  Ni5  1  0.45983634  0.45983634  0.20425199  1.0
  Ni  Ni6  1  0.45983634  0.20425199  0.45983634  1.0
  B  B7  1  0.35488243  0.77040227  0.77040227  1.0
  B  B8  1  0.77040227  0.77040227  0.35488243  1.0
  B  B9  1  0.77040227  0.35488243  0.77040227  1.0
  B  B10  1  0.64511757  0.22959773  0.22959773  1.0
  B  B11  1  0.22959773  0.22959773  0.64511757  1.0
  B  B12  1  0.22959773  0.64511757  0.22959773  1.0
  Ir  Ir13  1  0.86090969  0.13909031  0.50000000  1.0
  Ir  Ir14  1  0.13909031  0.50000000  0.86090969  1.0
  Ir  Ir15  1  0.50000000  0.86090969  0.13909031  1.0
  Ir  Ir16  1  0.86090969  0.50000000  0.13909031  1.0
  Ir  Ir17  1  0.50000000  0.13909031  0.86090969  1.0
  Ir  Ir18  1  0.13909031  0.86090969  0.50000000  1.0