# generated using pymatgen
data_Sc12AlNi4Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75419740
_cell_length_b   7.75419586
_cell_length_c   7.75419601
_cell_angle_alpha   110.72912539
_cell_angle_beta   110.88227942
_cell_angle_gamma   106.83404545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12AlNi4Hg
_chemical_formula_sum   'Sc12 Al1 Ni4 Hg1'
_cell_volume   358.34480740
_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  0.44158073  0.23796125  0.20361848  1.0
  Sc  Sc1  1  0.55841927  0.76203875  0.79638152  1.0
  Sc  Sc2  1  0.03434376  0.23796125  0.79638152  1.0
  Sc  Sc3  1  0.96565624  0.76203875  0.20361848  1.0
  Sc  Sc4  1  0.18431184  0.28018910  0.46449995  1.0
  Sc  Sc5  1  0.81568816  0.71981090  0.53550005  1.0
  Sc  Sc6  1  0.18431184  0.71981090  0.90412274  1.0
  Sc  Sc7  1  0.81568816  0.28018910  0.09587726  1.0
  Sc  Sc8  1  0.32429325  0.62203605  0.29774180  1.0
  Sc  Sc9  1  0.67570675  0.37796395  0.70225820  1.0
  Sc  Sc10  1  0.32429325  0.02655144  0.70225820  1.0
  Sc  Sc11  1  0.67570675  0.97344856  0.29774180  1.0
  Al  Al12  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni13  1  0.34944635  0.00000000  0.34944635  1.0
  Ni  Ni14  1  0.65055365  1.00000000  0.65055365  1.0
  Ni  Ni15  1  0.12388381  0.62388381  0.50000000  1.0
  Ni  Ni16  1  0.87611619  0.37611619  0.50000000  1.0
  Hg  Hg17  1  0.50000000  0.50000000  0.00000000  1.0