# generated using pymatgen
data_CaTh5(CdHg2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19715997
_cell_length_b   7.26266027
_cell_length_c   15.55032349
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99958309
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTh5(CdHg2)6
_chemical_formula_sum   'Ca1 Th5 Cd6 Hg12'
_cell_volume   586.95018310
_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
  Ca  Ca0  1  0.50014817  0.00000000  0.83335005  1.0
  Th  Th1  1  0.00000703  0.50000100  0.99769176  1.0
  Th  Th2  1  0.49990635  0.00000000  0.16620017  1.0
  Th  Th3  1  0.99986914  0.50000100  0.33349392  1.0
  Th  Th4  1  0.49999131  0.00000000  0.50052582  1.0
  Th  Th5  1  0.00006199  0.50000100  0.66892905  1.0
  Cd  Cd6  1  0.00000403  0.00000000  0.99770446  1.0
  Cd  Cd7  1  0.49998885  0.50000100  0.16660354  1.0
  Cd  Cd8  1  0.00000610  0.00000000  0.33312543  1.0
  Cd  Cd9  1  0.49998928  0.50000100  0.50029990  1.0
  Cd  Cd10  1  0.00003958  0.00000000  0.66869461  1.0
  Cd  Cd11  1  0.50001397  0.50000100  0.83314770  1.0
  Hg  Hg12  1  0.50000161  0.24739776  0.99695087  1.0
  Hg  Hg13  1  0.50000161  0.75260224  0.99695087  1.0
  Hg  Hg14  1  0.99990632  0.24943591  0.16565000  1.0
  Hg  Hg15  1  0.99990632  0.75056409  0.16565000  1.0
  Hg  Hg16  1  0.49987527  0.25049392  0.33340500  1.0
  Hg  Hg17  1  0.49987527  0.74950508  0.33340500  1.0
  Hg  Hg18  1  0.99998717  0.24911805  0.50104876  1.0
  Hg  Hg19  1  0.99998717  0.75088095  0.50104876  1.0
  Hg  Hg20  1  0.50006702  0.24735821  0.66976109  1.0
  Hg  Hg21  1  0.50006702  0.75264079  0.66976109  1.0
  Hg  Hg22  1  0.00014622  0.23971194  0.83329908  1.0
  Hg  Hg23  1  0.00014622  0.76028806  0.83329908  1.0