# generated using pymatgen
data_Sc16Hg7Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14059096
_cell_length_b   9.14059114
_cell_length_c   9.14059201
_cell_angle_alpha   59.81180721
_cell_angle_beta   59.81180623
_cell_angle_gamma   59.81180151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc16Hg7Ir
_chemical_formula_sum   'Sc16 Hg7 Ir1'
_cell_volume   537.71067574
_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  0.10428198  0.63863884  0.63863884  1.0
  Sc  Sc1  1  0.63863884  0.10428198  0.63863884  1.0
  Sc  Sc2  1  0.63863884  0.63863884  0.10428198  1.0
  Sc  Sc3  1  0.62207799  0.62207799  0.62207799  1.0
  Sc  Sc4  1  0.81582683  0.81582683  0.17159797  1.0
  Sc  Sc5  1  0.18744253  0.18744253  0.81374663  1.0
  Sc  Sc6  1  0.81582683  0.17159797  0.81582683  1.0
  Sc  Sc7  1  0.18744253  0.81374663  0.18744253  1.0
  Sc  Sc8  1  0.17159797  0.81582683  0.81582683  1.0
  Sc  Sc9  1  0.81374663  0.18744253  0.18744253  1.0
  Sc  Sc10  1  0.43792352  0.43792352  0.06460270  1.0
  Sc  Sc11  1  0.06374421  0.06374421  0.44136381  1.0
  Sc  Sc12  1  0.43792352  0.06460270  0.43792352  1.0
  Sc  Sc13  1  0.06374421  0.44136381  0.06374421  1.0
  Sc  Sc14  1  0.06460270  0.43792352  0.43792352  1.0
  Sc  Sc15  1  0.44136381  0.06374421  0.06374421  1.0
  Hg  Hg16  1  0.77916691  0.40404724  0.40404724  1.0
  Hg  Hg17  1  0.40404724  0.77916691  0.40404724  1.0
  Hg  Hg18  1  0.40404724  0.40404724  0.77916691  1.0
  Hg  Hg19  1  0.41029386  0.41029386  0.41029386  1.0
  Hg  Hg20  1  0.46510722  0.84052975  0.84052975  1.0
  Hg  Hg21  1  0.84052975  0.46510722  0.84052975  1.0
  Hg  Hg22  1  0.84052975  0.84052975  0.46510722  1.0
  Ir  Ir23  1  0.85145605  0.85145605  0.85145605  1.0