# generated using pymatgen
data_Sc4In2Hg3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89476551
_cell_length_b   7.89476574
_cell_length_c   6.82588102
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.29809560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4In2Hg3Ru
_chemical_formula_sum   'Sc8 In4 Hg6 Ru2'
_cell_volume   425.32971649
_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  0.18259311  0.12819342  0.00000000  1.0
  Sc  Sc1  1  0.87180658  0.81740689  0.00000000  1.0
  Sc  Sc2  1  0.66272432  0.33727568  0.50000000  1.0
  Sc  Sc3  1  0.30863912  0.69136088  0.50000000  1.0
  Sc  Sc4  1  0.66449628  0.33550372  0.00000000  1.0
  Sc  Sc5  1  0.30817337  0.69182663  0.00000000  1.0
  Sc  Sc6  1  0.87199378  0.81529487  0.50000000  1.0
  Sc  Sc7  1  0.18470513  0.12800622  0.50000000  1.0
  In  In8  1  0.49513513  0.00266150  0.24902106  1.0
  In  In9  1  0.49513513  0.00266150  0.75097894  1.0
  In  In10  1  0.99733850  0.50486487  0.24902106  1.0
  In  In11  1  0.99733850  0.50486487  0.75097894  1.0
  Hg  Hg12  1  0.35626258  0.37772534  0.24876043  1.0
  Hg  Hg13  1  0.62227466  0.64373742  0.75123957  1.0
  Hg  Hg14  1  0.62227466  0.64373742  0.24876043  1.0
  Hg  Hg15  1  0.87126767  0.12873233  0.74770551  1.0
  Hg  Hg16  1  0.87126767  0.12873233  0.25229449  1.0
  Hg  Hg17  1  0.35626258  0.37772534  0.75123957  1.0
  Ru  Ru18  1  0.13015462  0.86984538  0.25021582  1.0
  Ru  Ru19  1  0.13015462  0.86984538  0.74978418  1.0