# generated using pymatgen
data_NpSc3(B6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50472994
_cell_length_b   8.99289512
_cell_length_c   11.33917950
_cell_angle_alpha   90.09485220
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpSc3(B6Ir)2
_chemical_formula_sum   'Np2 Sc6 B24 Ir4'
_cell_volume   357.38401466
_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  0.50000000  0.32174607  0.41335677  1.0
  Np  Np1  1  0.50000000  0.67825393  0.58664323  1.0
  Sc  Sc2  1  0.50000000  0.18238429  0.91532353  1.0
  Sc  Sc3  1  0.50000000  0.81761571  0.08467647  1.0
  Sc  Sc4  1  0.50000000  0.44485208  0.12265664  1.0
  Sc  Sc5  1  0.50000000  0.55514792  0.87734336  1.0
  Sc  Sc6  1  0.50000000  0.05395821  0.62678167  1.0
  Sc  Sc7  1  0.50000000  0.94604179  0.37321833  1.0
  B  B8  1  0.00000000  0.10027774  0.47322606  1.0
  B  B9  1  0.00000000  0.89972226  0.52677394  1.0
  B  B10  1  0.00000000  0.39497677  0.97188711  1.0
  B  B11  1  0.00000000  0.60502323  0.02811289  1.0
  B  B12  1  0.00000000  0.13059604  0.31701526  1.0
  B  B13  1  0.00000000  0.86940396  0.68298474  1.0
  B  B14  1  0.00000000  0.36762365  0.82106026  1.0
  B  B15  1  0.00000000  0.63237635  0.17893974  1.0
  B  B16  1  0.00000000  0.05401210  0.06290749  1.0
  B  B17  1  0.00000000  0.94598790  0.93709251  1.0
  B  B18  1  0.00000000  0.44575762  0.56778771  1.0
  B  B19  1  0.00000000  0.55424238  0.43221229  1.0
  B  B20  1  0.00000000  0.48197273  0.28353179  1.0
  B  B21  1  0.00000000  0.51802727  0.71646821  1.0
  B  B22  1  0.00000000  0.01958217  0.78775988  1.0
  B  B23  1  0.00000000  0.98041783  0.21224012  1.0
  B  B24  1  0.00000000  0.25258018  0.07707692  1.0
  B  B25  1  0.00000000  0.74741982  0.92292308  1.0
  B  B26  1  0.00000000  0.24579945  0.58109047  1.0
  B  B27  1  0.00000000  0.75420055  0.41890953  1.0
  B  B28  1  0.00000000  0.29505882  0.23285431  1.0
  B  B29  1  0.00000000  0.70494118  0.76714569  1.0
  B  B30  1  0.00000000  0.20250585  0.73968317  1.0
  B  B31  1  0.00000000  0.79749415  0.26031683  1.0
  Ir  Ir32  1  0.50000000  0.13681378  0.17627050  1.0
  Ir  Ir33  1  0.50000000  0.86318622  0.82372950  1.0
  Ir  Ir34  1  0.50000000  0.35343956  0.68657179  1.0
  Ir  Ir35  1  0.50000000  0.64656044  0.31342821  1.0