# generated using pymatgen
data_Sc20Cd5Ni2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01543312
_cell_length_b   9.01541875
_cell_length_c   8.92217447
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.96198122
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc20Cd5Ni2Hg
_chemical_formula_sum   'Sc20 Cd5 Ni2 Hg1'
_cell_volume   628.26099004
_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  0.99829308  0.00170763  0.49680633  1.0
  Sc  Sc1  1  0.99829308  0.00170763  0.00319367  1.0
  Sc  Sc2  1  0.54260893  0.45739164  0.25000000  1.0
  Sc  Sc3  1  0.54458322  0.08356238  0.25000000  1.0
  Sc  Sc4  1  0.91643821  0.45541738  0.25000000  1.0
  Sc  Sc5  1  0.45795990  0.54204100  0.75000000  1.0
  Sc  Sc6  1  0.45765961  0.91536332  0.75000000  1.0
  Sc  Sc7  1  0.08463728  0.54234107  0.75000000  1.0
  Sc  Sc8  1  0.21002200  0.78997854  0.43640149  1.0
  Sc  Sc9  1  0.21047327  0.41996410  0.43607023  1.0
  Sc  Sc10  1  0.58003677  0.78952753  0.43607020  1.0
  Sc  Sc11  1  0.78978147  0.21021910  0.56387050  1.0
  Sc  Sc12  1  0.79029167  0.58006062  0.56352224  1.0
  Sc  Sc13  1  0.41994013  0.20970908  0.56352233  1.0
  Sc  Sc14  1  0.78978147  0.21021910  0.93612950  1.0
  Sc  Sc15  1  0.79029167  0.58006062  0.93647776  1.0
  Sc  Sc16  1  0.41994013  0.20970908  0.93647767  1.0
  Sc  Sc17  1  0.21002200  0.78997854  0.06359851  1.0
  Sc  Sc18  1  0.21047327  0.41996410  0.06392977  1.0
  Sc  Sc19  1  0.58003677  0.78952753  0.06392980  1.0
  Cd  Cd20  1  0.88294883  0.76330755  0.25000000  1.0
  Cd  Cd21  1  0.23669286  0.11705182  0.25000000  1.0
  Cd  Cd22  1  0.11610065  0.88389957  0.75000000  1.0
  Cd  Cd23  1  0.11660197  0.23354304  0.75000000  1.0
  Cd  Cd24  1  0.76644970  0.88338780  0.75000000  1.0
  Ni  Ni25  1  0.33326623  0.66673455  0.25000000  1.0
  Ni  Ni26  1  0.66630585  0.33369495  0.75000000  1.0
  Hg  Hg27  1  0.88006899  0.11993171  0.25000000  1.0