# generated using pymatgen
data_NpSc3(ReB6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56745903
_cell_length_b   8.95034023
_cell_length_c   11.27684997
_cell_angle_alpha   90.15124837
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpSc3(ReB6)2
_chemical_formula_sum   'Np2 Sc6 Re4 B24'
_cell_volume   360.06825001
_cell_formula_units_Z   2
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
  Np  Np0  1  0.00000000  0.32052090  0.41338223  1.0
  Np  Np1  1  0.00000000  0.67947910  0.58661777  1.0
  Sc  Sc2  1  0.00000000  0.82251320  0.08449029  1.0
  Sc  Sc3  1  0.00000000  0.17748680  0.91550971  1.0
  Sc  Sc4  1  0.00000000  0.94424837  0.36938071  1.0
  Sc  Sc5  1  0.00000000  0.05575163  0.63061929  1.0
  Sc  Sc6  1  0.00000000  0.44344904  0.12627071  1.0
  Sc  Sc7  1  0.00000000  0.55655096  0.87372929  1.0
  Re  Re8  1  0.00000000  0.63977198  0.31922048  1.0
  Re  Re9  1  0.00000000  0.36022802  0.68077952  1.0
  Re  Re10  1  0.00000000  0.14011763  0.17979881  1.0
  Re  Re11  1  0.00000000  0.85988237  0.82020119  1.0
  B  B12  1  0.50000000  0.55389376  0.43183754  1.0
  B  B13  1  0.50000000  0.44610624  0.56816246  1.0
  B  B14  1  0.50000000  0.05319046  0.06460089  1.0
  B  B15  1  0.50000000  0.94680954  0.93539911  1.0
  B  B16  1  0.50000000  0.75365008  0.41799484  1.0
  B  B17  1  0.50000000  0.24634992  0.58200516  1.0
  B  B18  1  0.50000000  0.25191403  0.07759164  1.0
  B  B19  1  0.50000000  0.74808597  0.92240836  1.0
  B  B20  1  0.50000000  0.79508721  0.26184453  1.0
  B  B21  1  0.50000000  0.20491279  0.73815547  1.0
  B  B22  1  0.50000000  0.29411595  0.23247671  1.0
  B  B23  1  0.50000000  0.70588405  0.76752329  1.0
  B  B24  1  0.50000000  0.63049439  0.18090454  1.0
  B  B25  1  0.50000000  0.36950561  0.81909546  1.0
  B  B26  1  0.50000000  0.12919304  0.31526828  1.0
  B  B27  1  0.50000000  0.87080696  0.68473172  1.0
  B  B28  1  0.50000000  0.97943161  0.21063377  1.0
  B  B29  1  0.50000000  0.02056839  0.78936623  1.0
  B  B30  1  0.50000000  0.48102511  0.28380462  1.0
  B  B31  1  0.50000000  0.51897489  0.71619538  1.0
  B  B32  1  0.50000000  0.59913951  0.02727520  1.0
  B  B33  1  0.50000000  0.40086049  0.97272480  1.0
  B  B34  1  0.50000000  0.09730966  0.47307738  1.0
  B  B35  1  0.50000000  0.90269034  0.52692262  1.0