# generated using pymatgen
data_Sc4In2Hg3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.80524090
_cell_length_b   7.80524145
_cell_length_c   7.01635311
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.26016134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4In2Hg3Ir
_chemical_formula_sum   'Sc8 In4 Hg6 Ir2'
_cell_volume   427.34540812
_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  0.17850750  0.12256721  0.00000000  1.0
  Sc  Sc1  1  0.87743279  0.82149250  0.00000000  1.0
  Sc  Sc2  1  0.65701173  0.34298827  0.50000000  1.0
  Sc  Sc3  1  0.31468349  0.68531651  0.50000000  1.0
  Sc  Sc4  1  0.66888708  0.33111292  0.00000000  1.0
  Sc  Sc5  1  0.30354300  0.69645700  0.00000000  1.0
  Sc  Sc6  1  0.86474932  0.81417483  0.50000000  1.0
  Sc  Sc7  1  0.18582517  0.13525068  0.50000000  1.0
  In  In8  1  0.49609078  0.00265683  0.25397383  1.0
  In  In9  1  0.49609078  0.00265683  0.74602617  1.0
  In  In10  1  0.99734317  0.50390922  0.25397383  1.0
  In  In11  1  0.99734317  0.50390922  0.74602617  1.0
  Hg  Hg12  1  0.35746342  0.37569977  0.23592350  1.0
  Hg  Hg13  1  0.62430023  0.64253658  0.76407650  1.0
  Hg  Hg14  1  0.62430023  0.64253658  0.23592350  1.0
  Hg  Hg15  1  0.86927129  0.13072871  0.73927728  1.0
  Hg  Hg16  1  0.86927129  0.13072871  0.26072272  1.0
  Hg  Hg17  1  0.35746342  0.37569977  0.76407650  1.0
  Ir  Ir18  1  0.13021008  0.86978992  0.25962320  1.0
  Ir  Ir19  1  0.13021008  0.86978992  0.74037680  1.0