# generated using pymatgen
data_PuScReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60909034
_cell_length_b   8.99983893
_cell_length_c   11.38134552
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuScReB6
_chemical_formula_sum   'Pu4 Sc4 Re4 B24'
_cell_volume   369.68012143
_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  0.31972550  0.41433012  1.0
  Pu  Pu1  1  0.00000000  0.68027450  0.58566988  1.0
  Pu  Pu2  1  0.00000000  0.81972550  0.08566988  1.0
  Pu  Pu3  1  0.00000000  0.18027450  0.91433012  1.0
  Sc  Sc4  1  0.00000000  0.94439773  0.37294948  1.0
  Sc  Sc5  1  0.00000000  0.05560227  0.62705052  1.0
  Sc  Sc6  1  0.00000000  0.44439773  0.12705052  1.0
  Sc  Sc7  1  0.00000000  0.55560227  0.87294948  1.0
  Re  Re8  1  0.00000000  0.64062896  0.31838443  1.0
  Re  Re9  1  0.00000000  0.35937104  0.68161557  1.0
  Re  Re10  1  0.00000000  0.14062896  0.18161557  1.0
  Re  Re11  1  0.00000000  0.85937104  0.81838443  1.0
  B  B12  1  0.50000000  0.55449970  0.43257872  1.0
  B  B13  1  0.50000000  0.44550030  0.56742128  1.0
  B  B14  1  0.50000000  0.05449970  0.06742128  1.0
  B  B15  1  0.50000000  0.94550030  0.93257872  1.0
  B  B16  1  0.50000000  0.75294975  0.41850041  1.0
  B  B17  1  0.50000000  0.24705025  0.58149959  1.0
  B  B18  1  0.50000000  0.25294975  0.08149959  1.0
  B  B19  1  0.50000000  0.74705025  0.91850041  1.0
  B  B20  1  0.50000000  0.79484712  0.26497626  1.0
  B  B21  1  0.50000000  0.20515288  0.73502374  1.0
  B  B22  1  0.50000000  0.29484712  0.23502374  1.0
  B  B23  1  0.50000000  0.70515288  0.76497626  1.0
  B  B24  1  0.50000000  0.62995141  0.18304691  1.0
  B  B25  1  0.50000000  0.37004859  0.81695309  1.0
  B  B26  1  0.50000000  0.12995141  0.31695309  1.0
  B  B27  1  0.50000000  0.87004859  0.68304691  1.0
  B  B28  1  0.50000000  0.98152171  0.21449569  1.0
  B  B29  1  0.50000000  0.01847829  0.78550431  1.0
  B  B30  1  0.50000000  0.48152171  0.28550431  1.0
  B  B31  1  0.50000000  0.51847829  0.71449569  1.0
  B  B32  1  0.50000000  0.59839108  0.02678502  1.0
  B  B33  1  0.50000000  0.40160892  0.97321498  1.0
  B  B34  1  0.50000000  0.09839108  0.47321498  1.0
  B  B35  1  0.50000000  0.90160892  0.52678502  1.0