# generated using pymatgen
data_Sc20Cd3Ni2Hg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02705292
_cell_length_b   9.02705283
_cell_length_c   8.85264465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc20Cd3Ni2Hg3
_chemical_formula_sum   'Sc20 Cd3 Ni2 Hg3'
_cell_volume   624.73477694
_cell_formula_units_Z   1
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  0.00000000  0.49019828  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00980172  1.0
  Sc  Sc2  1  0.54171830  0.45828170  0.25000000  1.0
  Sc  Sc3  1  0.54171830  0.08343560  0.25000000  1.0
  Sc  Sc4  1  0.91656440  0.45828170  0.25000000  1.0
  Sc  Sc5  1  0.45777326  0.54222674  0.75000000  1.0
  Sc  Sc6  1  0.45777326  0.91554752  0.75000000  1.0
  Sc  Sc7  1  0.08445248  0.54222674  0.75000000  1.0
  Sc  Sc8  1  0.20916599  0.79083401  0.43529741  1.0
  Sc  Sc9  1  0.20916599  0.41833299  0.43529741  1.0
  Sc  Sc10  1  0.58166701  0.79083401  0.43529741  1.0
  Sc  Sc11  1  0.79060926  0.20939074  0.56432775  1.0
  Sc  Sc12  1  0.79060926  0.58121852  0.56432775  1.0
  Sc  Sc13  1  0.41878148  0.20939074  0.56432775  1.0
  Sc  Sc14  1  0.79060926  0.20939074  0.93567225  1.0
  Sc  Sc15  1  0.79060926  0.58121852  0.93567225  1.0
  Sc  Sc16  1  0.41878148  0.20939074  0.93567225  1.0
  Sc  Sc17  1  0.20916599  0.79083401  0.06470259  1.0
  Sc  Sc18  1  0.20916599  0.41833299  0.06470259  1.0
  Sc  Sc19  1  0.58166701  0.79083401  0.06470259  1.0
  Cd  Cd20  1  0.11569554  0.88430446  0.75000000  1.0
  Cd  Cd21  1  0.11569554  0.23139108  0.75000000  1.0
  Cd  Cd22  1  0.76860892  0.88430446  0.75000000  1.0
  Ni  Ni23  1  0.33333300  0.66666700  0.25000000  1.0
  Ni  Ni24  1  0.66666700  0.33333300  0.75000000  1.0
  Hg  Hg25  1  0.87686516  0.12313484  0.25000000  1.0
  Hg  Hg26  1  0.87686516  0.75373132  0.25000000  1.0
  Hg  Hg27  1  0.24626868  0.12313484  0.25000000  1.0