# generated using pymatgen
data_ScPaB6W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66250978
_cell_length_b   9.03392284
_cell_length_c   11.40990642
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPaB6W
_chemical_formula_sum   'Sc4 Pa4 B24 W4'
_cell_volume   377.51764286
_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  0.94544118  0.37403326  1.0
  Sc  Sc1  1  0.00000000  0.05455882  0.62596674  1.0
  Sc  Sc2  1  0.00000000  0.44544118  0.12596674  1.0
  Sc  Sc3  1  0.00000000  0.55455882  0.87403326  1.0
  Pa  Pa4  1  0.00000000  0.32020830  0.41410484  1.0
  Pa  Pa5  1  0.00000000  0.67979170  0.58589516  1.0
  Pa  Pa6  1  0.00000000  0.82020830  0.08589516  1.0
  Pa  Pa7  1  0.00000000  0.17979170  0.91410484  1.0
  B  B8  1  0.50000000  0.55417611  0.43323434  1.0
  B  B9  1  0.50000000  0.44582389  0.56676566  1.0
  B  B10  1  0.50000000  0.05417611  0.06676566  1.0
  B  B11  1  0.50000000  0.94582389  0.93323434  1.0
  B  B12  1  0.50000000  0.75418840  0.41943237  1.0
  B  B13  1  0.50000000  0.24581160  0.58056763  1.0
  B  B14  1  0.50000000  0.25418840  0.08056763  1.0
  B  B15  1  0.50000000  0.74581160  0.91943237  1.0
  B  B16  1  0.50000000  0.79491662  0.26403522  1.0
  B  B17  1  0.50000000  0.20508338  0.73596478  1.0
  B  B18  1  0.50000000  0.29491662  0.23596478  1.0
  B  B19  1  0.50000000  0.70508338  0.76403522  1.0
  B  B20  1  0.50000000  0.62923201  0.18259041  1.0
  B  B21  1  0.50000000  0.37076799  0.81740959  1.0
  B  B22  1  0.50000000  0.12923201  0.31740959  1.0
  B  B23  1  0.50000000  0.87076799  0.68259041  1.0
  B  B24  1  0.50000000  0.98058738  0.21418319  1.0
  B  B25  1  0.50000000  0.01941262  0.78581681  1.0
  B  B26  1  0.50000000  0.48058738  0.28581681  1.0
  B  B27  1  0.50000000  0.51941262  0.71418319  1.0
  B  B28  1  0.50000000  0.60006176  0.02744477  1.0
  B  B29  1  0.50000000  0.39993824  0.97255523  1.0
  B  B30  1  0.50000000  0.10006176  0.47255523  1.0
  B  B31  1  0.50000000  0.89993824  0.52744477  1.0
  W  W32  1  0.00000000  0.64037872  0.31937717  1.0
  W  W33  1  0.00000000  0.35962128  0.68062283  1.0
  W  W34  1  0.00000000  0.14037872  0.18062283  1.0
  W  W35  1  0.00000000  0.85962128  0.81937717  1.0