# generated using pymatgen
data_Sc6Sn6HgIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55114823
_cell_length_b   7.55114819
_cell_length_c   7.10208388
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Sn6HgIr5
_chemical_formula_sum   'Sc6 Sn6 Hg1 Ir5'
_cell_volume   350.70538646
_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
  Sc  Sc0  1  0.38274249  0.98327347  0.23885205  1.0
  Sc  Sc1  1  0.60052998  0.61725751  0.23885205  1.0
  Sc  Sc2  1  0.01672653  0.39947002  0.23885205  1.0
  Sc  Sc3  1  0.38077476  0.97898621  0.76137885  1.0
  Sc  Sc4  1  0.59821145  0.61922524  0.76137885  1.0
  Sc  Sc5  1  0.02101379  0.40178855  0.76137885  1.0
  Sn  Sn6  1  0.28836937  0.27774947  0.99977858  1.0
  Sn  Sn7  1  0.98937911  0.71163063  0.99977858  1.0
  Sn  Sn8  1  0.00876057  0.74603553  0.49938751  1.0
  Sn  Sn9  1  0.73727296  0.99123943  0.49938751  1.0
  Sn  Sn10  1  0.25396447  0.26272704  0.49938751  1.0
  Sn  Sn11  1  0.72225053  0.01062089  0.99977858  1.0
  Hg  Hg12  1  0.66666700  0.33333300  0.50671316  1.0
  Ir  Ir13  1  0.00000000  0.00000000  0.77019577  1.0
  Ir  Ir14  1  0.00000000  0.00000000  0.22890438  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.99617066  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.49670138  1.0
  Ir  Ir17  1  0.33333300  0.66666700  0.00312567  1.0