# generated using pymatgen
data_Y3Er17(Hg3Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49776046
_cell_length_b   9.49776309
_cell_length_c   9.51542315
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00091810
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Er17(Hg3Ru)2
_chemical_formula_sum   'Y3 Er17 Hg6 Ru2'
_cell_volume   743.35670704
_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
  Y  Y0  1  0.45967787  0.54030289  0.75000000  1.0
  Y  Y1  1  0.45967688  0.91938014  0.75000000  1.0
  Y  Y2  1  0.08062168  0.54031162  0.75000000  1.0
  Er  Er3  1  0.99999527  0.99999763  0.49889115  1.0
  Er  Er4  1  0.99999527  0.99999763  0.00110885  1.0
  Er  Er5  1  0.20934382  0.79065708  0.43843384  1.0
  Er  Er6  1  0.20934636  0.41868232  0.43843792  1.0
  Er  Er7  1  0.58131107  0.79065235  0.43843320  1.0
  Er  Er8  1  0.79011939  0.20988769  0.55930821  1.0
  Er  Er9  1  0.79012044  0.58024344  0.55930351  1.0
  Er  Er10  1  0.41975578  0.20988349  0.55930452  1.0
  Er  Er11  1  0.79011939  0.20988769  0.94069179  1.0
  Er  Er12  1  0.79012044  0.58024344  0.94069649  1.0
  Er  Er13  1  0.41975578  0.20988349  0.94069548  1.0
  Er  Er14  1  0.20934382  0.79065708  0.06156616  1.0
  Er  Er15  1  0.20934636  0.41868232  0.06156208  1.0
  Er  Er16  1  0.58131107  0.79065235  0.06156680  1.0
  Er  Er17  1  0.54098116  0.45902321  0.25000000  1.0
  Er  Er18  1  0.54098152  0.08196469  0.25000000  1.0
  Er  Er19  1  0.91804263  0.45902180  0.25000000  1.0
  Hg  Hg20  1  0.88042544  0.11959530  0.25000000  1.0
  Hg  Hg21  1  0.88042005  0.76082234  0.25000000  1.0
  Hg  Hg22  1  0.23917155  0.11958982  0.25000000  1.0
  Hg  Hg23  1  0.11792487  0.88208371  0.75000000  1.0
  Hg  Hg24  1  0.11795151  0.23585660  0.75000000  1.0
  Hg  Hg25  1  0.76414774  0.88205809  0.75000000  1.0
  Ru  Ru26  1  0.33332313  0.66664634  0.25000000  1.0
  Ru  Ru27  1  0.66666972  0.33333848  0.75000000  1.0