# generated using pymatgen
data_NpScAlB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54566521
_cell_length_b   9.05095731
_cell_length_c   11.39901150
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpScAlB6
_chemical_formula_sum   'Np4 Sc4 Al4 B24'
_cell_volume   365.81325272
_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
  Np  Np0  1  0.00000000  0.82189870  0.08574320  1.0
  Np  Np1  1  0.00000000  0.17810130  0.91425680  1.0
  Np  Np2  1  0.00000000  0.32189870  0.41425680  1.0
  Np  Np3  1  0.00000000  0.67810130  0.58574320  1.0
  Sc  Sc4  1  0.00000000  0.44529025  0.12667448  1.0
  Sc  Sc5  1  0.00000000  0.55470975  0.87332552  1.0
  Sc  Sc6  1  0.00000000  0.94529025  0.37332552  1.0
  Sc  Sc7  1  0.00000000  0.05470975  0.62667448  1.0
  Al  Al8  1  0.00000000  0.14148305  0.18055254  1.0
  Al  Al9  1  0.00000000  0.85851695  0.81944746  1.0
  Al  Al10  1  0.00000000  0.64148305  0.31944746  1.0
  Al  Al11  1  0.00000000  0.35851695  0.68055254  1.0
  B  B12  1  0.50000000  0.05184707  0.06561664  1.0
  B  B13  1  0.50000000  0.94815293  0.93438336  1.0
  B  B14  1  0.50000000  0.55184707  0.43438336  1.0
  B  B15  1  0.50000000  0.44815293  0.56561664  1.0
  B  B16  1  0.50000000  0.25649592  0.07997242  1.0
  B  B17  1  0.50000000  0.74350408  0.92002758  1.0
  B  B18  1  0.50000000  0.75649592  0.42002758  1.0
  B  B19  1  0.50000000  0.24350408  0.57997242  1.0
  B  B20  1  0.50000000  0.29854397  0.23662031  1.0
  B  B21  1  0.50000000  0.70145603  0.76337969  1.0
  B  B22  1  0.50000000  0.79854397  0.26337969  1.0
  B  B23  1  0.50000000  0.20145603  0.73662031  1.0
  B  B24  1  0.50000000  0.13028524  0.31964701  1.0
  B  B25  1  0.50000000  0.86971476  0.68035299  1.0
  B  B26  1  0.50000000  0.63028524  0.18035299  1.0
  B  B27  1  0.50000000  0.36971476  0.81964701  1.0
  B  B28  1  0.50000000  0.47926443  0.28567617  1.0
  B  B29  1  0.50000000  0.52073557  0.71432383  1.0
  B  B30  1  0.50000000  0.97926443  0.21432383  1.0
  B  B31  1  0.50000000  0.02073557  0.78567617  1.0
  B  B32  1  0.50000000  0.09761397  0.47374841  1.0
  B  B33  1  0.50000000  0.90238603  0.52625159  1.0
  B  B34  1  0.50000000  0.59761397  0.02625159  1.0
  B  B35  1  0.50000000  0.40238603  0.97374841  1.0