# generated using pymatgen
data_ScPaAlB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56975636
_cell_length_b   9.03349034
_cell_length_c   11.41327927
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPaAlB6
_chemical_formula_sum   'Sc4 Pa4 Al4 B24'
_cell_volume   368.04812086
_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  0.44373474  0.12827594  1.0
  Sc  Sc1  1  0.00000000  0.55626526  0.87172406  1.0
  Sc  Sc2  1  0.00000000  0.94373474  0.37172406  1.0
  Sc  Sc3  1  0.00000000  0.05626526  0.62827594  1.0
  Pa  Pa4  1  0.00000000  0.82261926  0.08472370  1.0
  Pa  Pa5  1  0.00000000  0.17738074  0.91527630  1.0
  Pa  Pa6  1  0.00000000  0.32261926  0.41527630  1.0
  Pa  Pa7  1  0.00000000  0.67738074  0.58472370  1.0
  Al  Al8  1  0.00000000  0.14222622  0.18207002  1.0
  Al  Al9  1  0.00000000  0.85777378  0.81792998  1.0
  Al  Al10  1  0.00000000  0.64222622  0.31792998  1.0
  Al  Al11  1  0.00000000  0.35777378  0.68207002  1.0
  B  B12  1  0.50000000  0.05251270  0.06565859  1.0
  B  B13  1  0.50000000  0.94748730  0.93434141  1.0
  B  B14  1  0.50000000  0.55251270  0.43434141  1.0
  B  B15  1  0.50000000  0.44748730  0.56565859  1.0
  B  B16  1  0.50000000  0.25689409  0.08026104  1.0
  B  B17  1  0.50000000  0.74310591  0.91973896  1.0
  B  B18  1  0.50000000  0.75689409  0.41973896  1.0
  B  B19  1  0.50000000  0.24310591  0.58026104  1.0
  B  B20  1  0.50000000  0.29826239  0.23722050  1.0
  B  B21  1  0.50000000  0.70173761  0.76277950  1.0
  B  B22  1  0.50000000  0.79826239  0.26277950  1.0
  B  B23  1  0.50000000  0.20173761  0.73722050  1.0
  B  B24  1  0.50000000  0.12989391  0.31962681  1.0
  B  B25  1  0.50000000  0.87010609  0.68037319  1.0
  B  B26  1  0.50000000  0.62989391  0.18037319  1.0
  B  B27  1  0.50000000  0.37010609  0.81962681  1.0
  B  B28  1  0.50000000  0.47911564  0.28519718  1.0
  B  B29  1  0.50000000  0.52088436  0.71480282  1.0
  B  B30  1  0.50000000  0.97911564  0.21480282  1.0
  B  B31  1  0.50000000  0.02088436  0.78519718  1.0
  B  B32  1  0.50000000  0.09915345  0.47315575  1.0
  B  B33  1  0.50000000  0.90084655  0.52684425  1.0
  B  B34  1  0.50000000  0.59915345  0.02684425  1.0
  B  B35  1  0.50000000  0.40084655  0.97315575  1.0