# generated using pymatgen
data_Th3Sc(CdHg2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20903702
_cell_length_b   5.13957415
_cell_length_c   10.27476817
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99995238
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc(CdHg2)4
_chemical_formula_sum   'Th3 Sc1 Cd4 Hg8'
_cell_volume   380.69434302
_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
  Th  Th0  1  0.75000046  0.25000000  0.12139811  1.0
  Th  Th1  1  0.25000111  0.75000000  0.37515104  1.0
  Th  Th2  1  0.74999793  0.25000000  0.62819661  1.0
  Sc  Sc3  1  0.24999716  0.75000000  0.87536680  1.0
  Cd  Cd4  1  0.25000331  0.25000000  0.12611159  1.0
  Cd  Cd5  1  0.75000152  0.75000000  0.37490797  1.0
  Cd  Cd6  1  0.24999945  0.25000000  0.62384423  1.0
  Cd  Cd7  1  0.75000231  0.75000000  0.87499128  1.0
  Hg  Hg8  1  0.48957097  0.75000000  0.11236172  1.0
  Hg  Hg9  1  0.01042835  0.75000000  0.11236430  1.0
  Hg  Hg10  1  0.99826036  0.25000000  0.37485299  1.0
  Hg  Hg11  1  0.50173980  0.25000000  0.37484973  1.0
  Hg  Hg12  1  0.01050021  0.75000000  0.63797458  1.0
  Hg  Hg13  1  0.48950038  0.75000000  0.63797451  1.0
  Hg  Hg14  1  0.02305769  0.25000000  0.87482619  1.0
  Hg  Hg15  1  0.47694099  0.25000000  0.87482936  1.0