# generated using pymatgen
data_Sc5HgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70391101
_cell_length_b   8.88146852
_cell_length_c   11.28253102
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5HgBi2
_chemical_formula_sum   'Sc20 Hg4 Bi8'
_cell_volume   771.97382399
_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  0.03369841  0.25000000  0.50858783  1.0
  Sc  Sc1  1  0.96630159  0.75000000  0.49141217  1.0
  Sc  Sc2  1  0.46630159  0.75000000  0.00858783  1.0
  Sc  Sc3  1  0.53369841  0.25000000  0.99141217  1.0
  Sc  Sc4  1  0.34626416  0.25000000  0.29103662  1.0
  Sc  Sc5  1  0.65373584  0.75000000  0.70896338  1.0
  Sc  Sc6  1  0.15373584  0.75000000  0.79103662  1.0
  Sc  Sc7  1  0.84626416  0.25000000  0.20896338  1.0
  Sc  Sc8  1  0.18349994  0.25000000  0.78299049  1.0
  Sc  Sc9  1  0.81650006  0.75000000  0.21700951  1.0
  Sc  Sc10  1  0.31650006  0.75000000  0.28299049  1.0
  Sc  Sc11  1  0.68349994  0.25000000  0.71700951  1.0
  Sc  Sc12  1  0.19149634  0.06271773  0.05722291  1.0
  Sc  Sc13  1  0.80850366  0.93728227  0.94277709  1.0
  Sc  Sc14  1  0.30850366  0.93728227  0.55722291  1.0
  Sc  Sc15  1  0.80850366  0.56271773  0.94277709  1.0
  Sc  Sc16  1  0.69149634  0.06271773  0.44277709  1.0
  Sc  Sc17  1  0.19149634  0.43728227  0.05722291  1.0
  Sc  Sc18  1  0.69149634  0.43728227  0.44277709  1.0
  Sc  Sc19  1  0.30850366  0.56271773  0.55722291  1.0
  Hg  Hg20  1  0.40743869  0.25000000  0.53844221  1.0
  Hg  Hg21  1  0.59256131  0.75000000  0.46155779  1.0
  Hg  Hg22  1  0.09256131  0.75000000  0.03844221  1.0
  Hg  Hg23  1  0.90743869  0.25000000  0.96155779  1.0
  Bi  Bi24  1  0.05795721  0.00132438  0.32185209  1.0
  Bi  Bi25  1  0.94204279  0.99867562  0.67814791  1.0
  Bi  Bi26  1  0.44204279  0.99867562  0.82185209  1.0
  Bi  Bi27  1  0.94204279  0.50132438  0.67814791  1.0
  Bi  Bi28  1  0.55795721  0.00132438  0.17814791  1.0
  Bi  Bi29  1  0.05795721  0.49867562  0.32185209  1.0
  Bi  Bi30  1  0.55795721  0.49867562  0.17814791  1.0
  Bi  Bi31  1  0.44204279  0.50132438  0.82185209  1.0