# generated using pymatgen
data_Sc4Zn2HgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74072835
_cell_length_b   6.61841417
_cell_length_c   6.74034000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00085644
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Zn2HgIr
_chemical_formula_sum   'Sc8 Zn4 Hg2 Ir2'
_cell_volume   300.70632964
_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  0.23515725  0.00022930  0.26484354  1.0
  Sc  Sc1  1  0.23515725  0.49976870  0.26484354  1.0
  Sc  Sc2  1  0.76486102  0.50022960  0.26486117  1.0
  Sc  Sc3  1  0.76486102  0.99976940  0.26486117  1.0
  Sc  Sc4  1  0.23513898  0.00022960  0.73513783  1.0
  Sc  Sc5  1  0.23513898  0.49976840  0.73513783  1.0
  Sc  Sc6  1  0.76484275  0.50022930  0.73515746  1.0
  Sc  Sc7  1  0.76484275  0.99976970  0.73515746  1.0
  Zn  Zn8  1  0.99951856  0.24999900  0.00000029  1.0
  Zn  Zn9  1  0.00048144  0.75000000  0.99999971  1.0
  Zn  Zn10  1  0.49946304  0.75000000  0.49999902  1.0
  Zn  Zn11  1  0.50053696  0.24999900  0.49999998  1.0
  Hg  Hg12  1  0.50035132  0.24999900  0.00000040  1.0
  Hg  Hg13  1  0.49964868  0.75000000  0.99999960  1.0
  Ir  Ir14  1  0.99937323  0.24999900  0.49999705  1.0
  Ir  Ir15  1  0.00062677  0.75000000  0.50000295  1.0