# generated using pymatgen
data_ScPaReB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64069869
_cell_length_b   8.98688222
_cell_length_c   11.35087361
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPaReB6
_chemical_formula_sum   'Sc4 Pa4 Re4 B24'
_cell_volume   371.38390191
_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  0.94524881  0.37508971  1.0
  Sc  Sc1  1  0.00000000  0.05475119  0.62491029  1.0
  Sc  Sc2  1  0.00000000  0.44524881  0.12491029  1.0
  Sc  Sc3  1  0.00000000  0.55475119  0.87508971  1.0
  Pa  Pa4  1  0.00000000  0.32067501  0.41385022  1.0
  Pa  Pa5  1  0.00000000  0.67932499  0.58614978  1.0
  Pa  Pa6  1  0.00000000  0.82067501  0.08614978  1.0
  Pa  Pa7  1  0.00000000  0.17932499  0.91385022  1.0
  Re  Re8  1  0.00000000  0.64041889  0.31928564  1.0
  Re  Re9  1  0.00000000  0.35958111  0.68071436  1.0
  Re  Re10  1  0.00000000  0.14041889  0.18071436  1.0
  Re  Re11  1  0.00000000  0.85958111  0.81928564  1.0
  B  B12  1  0.50000000  0.55456697  0.43316725  1.0
  B  B13  1  0.50000000  0.44543303  0.56683275  1.0
  B  B14  1  0.50000000  0.05456697  0.06683275  1.0
  B  B15  1  0.50000000  0.94543303  0.93316725  1.0
  B  B16  1  0.50000000  0.75302540  0.41888952  1.0
  B  B17  1  0.50000000  0.24697460  0.58111048  1.0
  B  B18  1  0.50000000  0.25302540  0.08111048  1.0
  B  B19  1  0.50000000  0.74697460  0.91888952  1.0
  B  B20  1  0.50000000  0.79485836  0.26508209  1.0
  B  B21  1  0.50000000  0.20514164  0.73491791  1.0
  B  B22  1  0.50000000  0.29485836  0.23491791  1.0
  B  B23  1  0.50000000  0.70514164  0.76508209  1.0
  B  B24  1  0.50000000  0.63022246  0.18293863  1.0
  B  B25  1  0.50000000  0.36977754  0.81706137  1.0
  B  B26  1  0.50000000  0.13022246  0.31706137  1.0
  B  B27  1  0.50000000  0.86977754  0.68293863  1.0
  B  B28  1  0.50000000  0.98185135  0.21500226  1.0
  B  B29  1  0.50000000  0.01814865  0.78499774  1.0
  B  B30  1  0.50000000  0.48185135  0.28499774  1.0
  B  B31  1  0.50000000  0.51814865  0.71500226  1.0
  B  B32  1  0.50000000  0.60115355  0.02770286  1.0
  B  B33  1  0.50000000  0.39884645  0.97229714  1.0
  B  B34  1  0.50000000  0.10115355  0.47229714  1.0
  B  B35  1  0.50000000  0.89884645  0.52770286  1.0