# generated using pymatgen
data_Sc10Hg3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96541425
_cell_length_b   8.96543598
_cell_length_c   8.98650337
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00021566
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc10Hg3Ru
_chemical_formula_sum   'Sc20 Hg6 Ru2'
_cell_volume   625.55025376
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc2  1  0.20908064  0.79091996  0.44042504  1.0
  Sc  Sc3  1  0.20907903  0.41815838  0.44042550  1.0
  Sc  Sc4  1  0.58183606  0.79091831  0.44042349  1.0
  Sc  Sc5  1  0.79091936  0.20908004  0.55957496  1.0
  Sc  Sc6  1  0.79092097  0.58184162  0.55957450  1.0
  Sc  Sc7  1  0.41816394  0.20908169  0.55957651  1.0
  Sc  Sc8  1  0.79091936  0.20908004  0.94042504  1.0
  Sc  Sc9  1  0.79092097  0.58184162  0.94042550  1.0
  Sc  Sc10  1  0.41816394  0.20908169  0.94042349  1.0
  Sc  Sc11  1  0.20908064  0.79091996  0.05957496  1.0
  Sc  Sc12  1  0.20907903  0.41815838  0.05957450  1.0
  Sc  Sc13  1  0.58183606  0.79091831  0.05957651  1.0
  Sc  Sc14  1  0.54048902  0.45951122  0.25000000  1.0
  Sc  Sc15  1  0.54048880  0.08098013  0.25000000  1.0
  Sc  Sc16  1  0.91902412  0.45951244  0.25000000  1.0
  Sc  Sc17  1  0.45951098  0.54048878  0.75000000  1.0
  Sc  Sc18  1  0.45951120  0.91901987  0.75000000  1.0
  Sc  Sc19  1  0.08097588  0.54048756  0.75000000  1.0
  Hg  Hg20  1  0.88071276  0.11928449  0.25000000  1.0
  Hg  Hg21  1  0.88071448  0.76142943  0.25000000  1.0
  Hg  Hg22  1  0.23857103  0.11928643  0.25000000  1.0
  Hg  Hg23  1  0.11928724  0.88071551  0.75000000  1.0
  Hg  Hg24  1  0.11928552  0.23857057  0.75000000  1.0
  Hg  Hg25  1  0.76142897  0.88071357  0.75000000  1.0
  Ru  Ru26  1  0.33332953  0.66666371  0.25000000  1.0
  Ru  Ru27  1  0.66667047  0.33333629  0.75000000  1.0