# generated using pymatgen
data_YbY19(Hg3Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62105614
_cell_length_b   9.62105563
_cell_length_c   9.65335849
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000174
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbY19(Hg3Ru)2
_chemical_formula_sum   'Yb1 Y19 Hg6 Ru2'
_cell_volume   773.84598417
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.50000000  1.0
  Y  Y1  1  0.00000000  0.00000000  0.00000000  1.0
  Y  Y2  1  0.20894719  0.79105281  0.43808217  1.0
  Y  Y3  1  0.20894719  0.41789438  0.43808217  1.0
  Y  Y4  1  0.58210562  0.79105281  0.43808217  1.0
  Y  Y5  1  0.79105281  0.20894719  0.56191783  1.0
  Y  Y6  1  0.79105281  0.58210562  0.56191783  1.0
  Y  Y7  1  0.41789438  0.20894719  0.56191783  1.0
  Y  Y8  1  0.79052760  0.20947240  0.93884721  1.0
  Y  Y9  1  0.79052760  0.58105320  0.93884721  1.0
  Y  Y10  1  0.41894680  0.20947240  0.93884721  1.0
  Y  Y11  1  0.20947240  0.79052760  0.06115279  1.0
  Y  Y12  1  0.20947240  0.41894680  0.06115279  1.0
  Y  Y13  1  0.58105320  0.79052760  0.06115279  1.0
  Y  Y14  1  0.54176712  0.45823288  0.25112972  1.0
  Y  Y15  1  0.54176712  0.08353323  0.25112972  1.0
  Y  Y16  1  0.91646677  0.45823288  0.25112972  1.0
  Y  Y17  1  0.45823288  0.54176712  0.74887028  1.0
  Y  Y18  1  0.45823288  0.91646677  0.74887028  1.0
  Y  Y19  1  0.08353323  0.54176712  0.74887028  1.0
  Hg  Hg20  1  0.88066543  0.11933457  0.25064677  1.0
  Hg  Hg21  1  0.88066543  0.76133187  0.25064677  1.0
  Hg  Hg22  1  0.23866813  0.11933457  0.25064677  1.0
  Hg  Hg23  1  0.11933457  0.88066543  0.74935323  1.0
  Hg  Hg24  1  0.11933457  0.23866813  0.74935323  1.0
  Hg  Hg25  1  0.76133187  0.88066543  0.74935323  1.0
  Ru  Ru26  1  0.33333300  0.66666700  0.25023013  1.0
  Ru  Ru27  1  0.66666700  0.33333300  0.74976987  1.0