# generated using pymatgen
data_ScPaB6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68755129
_cell_length_b   9.00887900
_cell_length_c   11.37804515
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPaB6Mo
_chemical_formula_sum   'Sc4 Pa4 B24 Mo4'
_cell_volume   377.98666244
_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
  Sc  Sc0  1  0.00000000  0.94530002  0.37346493  1.0
  Sc  Sc1  1  0.00000000  0.05469998  0.62653507  1.0
  Sc  Sc2  1  0.00000000  0.44530002  0.12653507  1.0
  Sc  Sc3  1  0.00000000  0.55469998  0.87346493  1.0
  Pa  Pa4  1  0.00000000  0.32054962  0.41425689  1.0
  Pa  Pa5  1  0.00000000  0.67945038  0.58574311  1.0
  Pa  Pa6  1  0.00000000  0.82054962  0.08574311  1.0
  Pa  Pa7  1  0.00000000  0.17945038  0.91425689  1.0
  B  B8  1  0.50000000  0.55431074  0.43295253  1.0
  B  B9  1  0.50000000  0.44568926  0.56704747  1.0
  B  B10  1  0.50000000  0.05431074  0.06704747  1.0
  B  B11  1  0.50000000  0.94568926  0.93295253  1.0
  B  B12  1  0.50000000  0.75399479  0.41899128  1.0
  B  B13  1  0.50000000  0.24600521  0.58100872  1.0
  B  B14  1  0.50000000  0.25399479  0.08100872  1.0
  B  B15  1  0.50000000  0.74600521  0.91899128  1.0
  B  B16  1  0.50000000  0.79451443  0.26403188  1.0
  B  B17  1  0.50000000  0.20548557  0.73596812  1.0
  B  B18  1  0.50000000  0.29451443  0.23596812  1.0
  B  B19  1  0.50000000  0.70548557  0.76403188  1.0
  B  B20  1  0.50000000  0.62910609  0.18285221  1.0
  B  B21  1  0.50000000  0.37089391  0.81714779  1.0
  B  B22  1  0.50000000  0.12910609  0.31714779  1.0
  B  B23  1  0.50000000  0.87089391  0.68285221  1.0
  B  B24  1  0.50000000  0.98102340  0.21388377  1.0
  B  B25  1  0.50000000  0.01897660  0.78611623  1.0
  B  B26  1  0.50000000  0.48102340  0.28611623  1.0
  B  B27  1  0.50000000  0.51897660  0.71388377  1.0
  B  B28  1  0.50000000  0.60022127  0.02742506  1.0
  B  B29  1  0.50000000  0.39977873  0.97257494  1.0
  B  B30  1  0.50000000  0.10022127  0.47257494  1.0
  B  B31  1  0.50000000  0.89977873  0.52742506  1.0
  Mo  Mo32  1  0.00000000  0.64033585  0.31936732  1.0
  Mo  Mo33  1  0.00000000  0.35966415  0.68063268  1.0
  Mo  Mo34  1  0.00000000  0.14033585  0.18063268  1.0
  Mo  Mo35  1  0.00000000  0.85966415  0.81936732  1.0