# generated using pymatgen
data_Sc5Pa3(ReB6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61576938
_cell_length_b   8.96454793
_cell_length_c   11.31281073
_cell_angle_alpha   90.06950760
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Pa3(ReB6)4
_chemical_formula_sum   'Sc5 Pa3 Re4 B24'
_cell_volume   366.69021193
_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
  Sc  Sc0  1  0.00000000  0.18363860  0.91376293  1.0
  Sc  Sc1  1  0.00000000  0.94615833  0.37450667  1.0
  Sc  Sc2  1  0.00000000  0.05577182  0.62758581  1.0
  Sc  Sc3  1  0.00000000  0.44275782  0.12322443  1.0
  Sc  Sc4  1  0.00000000  0.55301107  0.87476229  1.0
  Pa  Pa5  1  0.00000000  0.31945533  0.41389960  1.0
  Pa  Pa6  1  0.00000000  0.67956983  0.58744342  1.0
  Pa  Pa7  1  0.00000000  0.82200995  0.08491143  1.0
  Re  Re8  1  0.00000000  0.64022088  0.31948790  1.0
  Re  Re9  1  0.00000000  0.36063784  0.67982185  1.0
  Re  Re10  1  0.00000000  0.13963543  0.18079923  1.0
  Re  Re11  1  0.00000000  0.85972681  0.81971827  1.0
  B  B12  1  0.50000000  0.55462045  0.43249957  1.0
  B  B13  1  0.50000000  0.44534799  0.56762120  1.0
  B  B14  1  0.50000000  0.05520063  0.06571610  1.0
  B  B15  1  0.50000000  0.94651704  0.93282890  1.0
  B  B16  1  0.50000000  0.75355766  0.41918576  1.0
  B  B17  1  0.50000000  0.24647720  0.58261235  1.0
  B  B18  1  0.50000000  0.25193614  0.07772951  1.0
  B  B19  1  0.50000000  0.74762506  0.91925226  1.0
  B  B20  1  0.50000000  0.79407900  0.26449324  1.0
  B  B21  1  0.50000000  0.20519553  0.73742194  1.0
  B  B22  1  0.50000000  0.29405733  0.23304428  1.0
  B  B23  1  0.50000000  0.70584036  0.76568063  1.0
  B  B24  1  0.50000000  0.62932292  0.18223135  1.0
  B  B25  1  0.50000000  0.36837220  0.81833640  1.0
  B  B26  1  0.50000000  0.12983268  0.31652773  1.0
  B  B27  1  0.50000000  0.87118753  0.68432651  1.0
  B  B28  1  0.50000000  0.98216767  0.21331984  1.0
  B  B29  1  0.50000000  0.02052398  0.78729966  1.0
  B  B30  1  0.50000000  0.48133059  0.28425398  1.0
  B  B31  1  0.50000000  0.51734271  0.71597263  1.0
  B  B32  1  0.50000000  0.59988109  0.02716145  1.0
  B  B33  1  0.50000000  0.39655379  0.97150326  1.0
  B  B34  1  0.50000000  0.10097796  0.47292365  1.0
  B  B35  1  0.50000000  0.89945676  0.52813197  1.0