# generated using pymatgen
data_PuScB6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54715735
_cell_length_b   9.04368830
_cell_length_c   11.44472573
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuScB6Ir
_chemical_formula_sum   'Pu4 Sc4 B24 Ir4'
_cell_volume   367.13976804
_cell_formula_units_Z   4
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
  Pu  Pu0  1  0.50000000  0.32240666  0.41500614  1.0
  Pu  Pu1  1  0.50000000  0.67759334  0.58499386  1.0
  Pu  Pu2  1  0.50000000  0.17759334  0.91500614  1.0
  Pu  Pu3  1  0.50000000  0.82240666  0.08499386  1.0
  Sc  Sc4  1  0.50000000  0.44611025  0.12433529  1.0
  Sc  Sc5  1  0.50000000  0.55388975  0.87566471  1.0
  Sc  Sc6  1  0.50000000  0.05388975  0.62433529  1.0
  Sc  Sc7  1  0.50000000  0.94611025  0.37566471  1.0
  B  B8  1  0.00000000  0.10038320  0.47349971  1.0
  B  B9  1  0.00000000  0.89961680  0.52650029  1.0
  B  B10  1  0.00000000  0.39961680  0.97349971  1.0
  B  B11  1  0.00000000  0.60038320  0.02650029  1.0
  B  B12  1  0.00000000  0.13207393  0.31976531  1.0
  B  B13  1  0.00000000  0.86792607  0.68023469  1.0
  B  B14  1  0.00000000  0.36792607  0.81976531  1.0
  B  B15  1  0.00000000  0.63207393  0.18023469  1.0
  B  B16  1  0.00000000  0.05548077  0.06727866  1.0
  B  B17  1  0.00000000  0.94451923  0.93272134  1.0
  B  B18  1  0.00000000  0.44451923  0.56727866  1.0
  B  B19  1  0.00000000  0.55548077  0.43272134  1.0
  B  B20  1  0.00000000  0.48349708  0.28440255  1.0
  B  B21  1  0.00000000  0.51650292  0.71559745  1.0
  B  B22  1  0.00000000  0.01650292  0.78440255  1.0
  B  B23  1  0.00000000  0.98349708  0.21559745  1.0
  B  B24  1  0.00000000  0.25417125  0.08035101  1.0
  B  B25  1  0.00000000  0.74582875  0.91964899  1.0
  B  B26  1  0.00000000  0.24582875  0.58035101  1.0
  B  B27  1  0.00000000  0.75417125  0.41964899  1.0
  B  B28  1  0.00000000  0.29704458  0.23582529  1.0
  B  B29  1  0.00000000  0.70295542  0.76417471  1.0
  B  B30  1  0.00000000  0.20295542  0.73582529  1.0
  B  B31  1  0.00000000  0.79704458  0.26417471  1.0
  Ir  Ir32  1  0.50000000  0.14374678  0.18337516  1.0
  Ir  Ir33  1  0.50000000  0.85625322  0.81662484  1.0
  Ir  Ir34  1  0.50000000  0.35625322  0.68337516  1.0
  Ir  Ir35  1  0.50000000  0.64374678  0.31662484  1.0