# generated using pymatgen
data_PuScCrB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51471855
_cell_length_b   8.98972094
_cell_length_c   11.34152011
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuScCrB6
_chemical_formula_sum   'Pu4 Sc4 Cr4 B24'
_cell_volume   358.35051374
_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  0.00000000  0.81991155  0.08569189  1.0
  Pu  Pu1  1  0.00000000  0.18008845  0.91430811  1.0
  Pu  Pu2  1  0.00000000  0.31991155  0.41430811  1.0
  Pu  Pu3  1  0.00000000  0.68008845  0.58569189  1.0
  Sc  Sc4  1  0.00000000  0.44447083  0.12856704  1.0
  Sc  Sc5  1  0.00000000  0.55552917  0.87143296  1.0
  Sc  Sc6  1  0.00000000  0.94447083  0.37143296  1.0
  Sc  Sc7  1  0.00000000  0.05552917  0.62856704  1.0
  Cr  Cr8  1  0.00000000  0.14102077  0.18146730  1.0
  Cr  Cr9  1  0.00000000  0.85897923  0.81853270  1.0
  Cr  Cr10  1  0.00000000  0.64102077  0.31853270  1.0
  Cr  Cr11  1  0.00000000  0.35897923  0.68146730  1.0
  B  B12  1  0.50000000  0.05427653  0.06740669  1.0
  B  B13  1  0.50000000  0.94572347  0.93259331  1.0
  B  B14  1  0.50000000  0.55427653  0.43259331  1.0
  B  B15  1  0.50000000  0.44572347  0.56740669  1.0
  B  B16  1  0.50000000  0.25229144  0.08213135  1.0
  B  B17  1  0.50000000  0.74770856  0.91786865  1.0
  B  B18  1  0.50000000  0.75229144  0.41786865  1.0
  B  B19  1  0.50000000  0.24770856  0.58213135  1.0
  B  B20  1  0.50000000  0.29412752  0.23465271  1.0
  B  B21  1  0.50000000  0.70587248  0.76534729  1.0
  B  B22  1  0.50000000  0.79412752  0.26534729  1.0
  B  B23  1  0.50000000  0.20587248  0.73465271  1.0
  B  B24  1  0.50000000  0.13015600  0.31648516  1.0
  B  B25  1  0.50000000  0.86984400  0.68351484  1.0
  B  B26  1  0.50000000  0.63015600  0.18351484  1.0
  B  B27  1  0.50000000  0.36984400  0.81648516  1.0
  B  B28  1  0.50000000  0.48250975  0.28655617  1.0
  B  B29  1  0.50000000  0.51749025  0.71344383  1.0
  B  B30  1  0.50000000  0.98250975  0.21344383  1.0
  B  B31  1  0.50000000  0.01749025  0.78655617  1.0
  B  B32  1  0.50000000  0.09887572  0.47329299  1.0
  B  B33  1  0.50000000  0.90112428  0.52670701  1.0
  B  B34  1  0.50000000  0.59887572  0.02670701  1.0
  B  B35  1  0.50000000  0.40112428  0.97329299  1.0