# generated using pymatgen
data_Y3ThHgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66677507
_cell_length_b   9.66629058
_cell_length_c   9.66627417
_cell_angle_alpha   59.99552317
_cell_angle_beta   59.99828480
_cell_angle_gamma   59.99834083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3ThHgRu
_chemical_formula_sum   'Y12 Th4 Hg4 Ru4'
_cell_volume   638.64541695
_cell_formula_units_Z   4
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
  Y  Y0  1  0.81134485  0.18863223  0.18867808  1.0
  Y  Y1  1  0.18862393  0.81140184  0.81135030  1.0
  Y  Y2  1  0.18859887  0.81138691  0.18857576  1.0
  Y  Y3  1  0.81149385  0.18854068  0.81136580  1.0
  Y  Y4  1  0.18859966  0.18854068  0.81136580  1.0
  Y  Y5  1  0.81143847  0.81138691  0.18857576  1.0
  Y  Y6  1  0.93713030  0.56288269  0.56285670  1.0
  Y  Y7  1  0.56291452  0.93708215  0.93708880  1.0
  Y  Y8  1  0.56294364  0.93706316  0.56297083  1.0
  Y  Y9  1  0.93699572  0.56302524  0.93706142  1.0
  Y  Y10  1  0.56291762  0.56302524  0.93706142  1.0
  Y  Y11  1  0.93702237  0.93706316  0.56297083  1.0
  Th  Th12  1  0.34827030  0.34835123  0.34833875  1.0
  Th  Th13  1  0.34833709  0.34836313  0.95496270  1.0
  Th  Th14  1  0.34834566  0.95496054  0.34834814  1.0
  Th  Th15  1  0.95503972  0.34835123  0.34833875  1.0
  Hg  Hg16  1  0.58479313  0.58482954  0.58480898  1.0
  Hg  Hg17  1  0.58480358  0.58482032  0.24557253  1.0
  Hg  Hg18  1  0.58480354  0.24559631  0.58479661  1.0
  Hg  Hg19  1  0.24556834  0.58482954  0.58480898  1.0
  Ru  Ru20  1  0.14439704  0.14434050  0.14442322  1.0
  Ru  Ru21  1  0.14439295  0.14440173  0.56681236  1.0
  Ru  Ru22  1  0.14438561  0.56678454  0.14444425  1.0
  Ru  Ru23  1  0.56683924  0.14434050  0.14442322  1.0