# generated using pymatgen
data_SrTh5(CdHg2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20721344
_cell_length_b   7.32896875
_cell_length_c   15.59013607
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00071550
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTh5(CdHg2)6
_chemical_formula_sum   'Sr1 Th5 Cd6 Hg12'
_cell_volume   594.97422983
_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
  Sr  Sr0  1  0.50000718  0.50000000  0.83339101  1.0
  Th  Th1  1  0.00000788  0.00000000  0.00020120  1.0
  Th  Th2  1  0.49999308  0.50000000  0.16866594  1.0
  Th  Th3  1  0.99999046  0.00000000  0.33336900  1.0
  Th  Th4  1  0.49999748  0.50000000  0.49794183  1.0
  Th  Th5  1  0.00002233  0.00000000  0.66651910  1.0
  Cd  Cd6  1  0.99998922  0.50000000  0.99876703  1.0
  Cd  Cd7  1  0.49999214  0.00000000  0.16934957  1.0
  Cd  Cd8  1  0.99995727  0.50000000  0.33331583  1.0
  Cd  Cd9  1  0.50000003  0.00000000  0.49717090  1.0
  Cd  Cd10  1  0.99998628  0.50000000  0.66790832  1.0
  Cd  Cd11  1  0.50000929  0.00000000  0.83305260  1.0
  Hg  Hg12  1  0.50000536  0.24771982  0.00220017  1.0
  Hg  Hg13  1  0.50000536  0.75227918  0.00220017  1.0
  Hg  Hg14  1  0.99999734  0.25114579  0.16678809  1.0
  Hg  Hg15  1  0.99999734  0.74885521  0.16678809  1.0
  Hg  Hg16  1  0.49998514  0.24796808  0.33333505  1.0
  Hg  Hg17  1  0.49998514  0.75203192  0.33333505  1.0
  Hg  Hg18  1  0.00000400  0.25106233  0.50004536  1.0
  Hg  Hg19  1  0.00000400  0.74893767  0.50004536  1.0
  Hg  Hg20  1  0.50002126  0.24788960  0.66448987  1.0
  Hg  Hg21  1  0.50002126  0.75211040  0.66448987  1.0
  Hg  Hg22  1  0.00001358  0.24735815  0.83331479  1.0
  Hg  Hg23  1  0.00001358  0.75264285  0.83331479  1.0