# generated using pymatgen
data_Sc20Cd6IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99390443
_cell_length_b   8.99390425
_cell_length_c   9.12397020
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc20Cd6IrRu
_chemical_formula_sum   'Sc20 Cd6 Ir1 Ru1'
_cell_volume   639.16210067
_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  0.00000000  0.00000000  0.49977351  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00022649  1.0
  Sc  Sc2  1  0.20932886  0.79067114  0.44207669  1.0
  Sc  Sc3  1  0.20932886  0.41865771  0.44207669  1.0
  Sc  Sc4  1  0.58134229  0.79067114  0.44207669  1.0
  Sc  Sc5  1  0.78977922  0.21022078  0.55865875  1.0
  Sc  Sc6  1  0.78977922  0.57955645  0.55865875  1.0
  Sc  Sc7  1  0.42044355  0.21022078  0.55865875  1.0
  Sc  Sc8  1  0.78977922  0.21022078  0.94134125  1.0
  Sc  Sc9  1  0.78977922  0.57955645  0.94134125  1.0
  Sc  Sc10  1  0.42044355  0.21022078  0.94134125  1.0
  Sc  Sc11  1  0.20932886  0.79067114  0.05792331  1.0
  Sc  Sc12  1  0.20932886  0.41865771  0.05792331  1.0
  Sc  Sc13  1  0.58134229  0.79067114  0.05792331  1.0
  Sc  Sc14  1  0.54019973  0.45980027  0.25000000  1.0
  Sc  Sc15  1  0.54019973  0.08039945  0.25000000  1.0
  Sc  Sc16  1  0.91960055  0.45980027  0.25000000  1.0
  Sc  Sc17  1  0.45979304  0.54020696  0.75000000  1.0
  Sc  Sc18  1  0.45979304  0.91958608  0.75000000  1.0
  Sc  Sc19  1  0.08041392  0.54020696  0.75000000  1.0
  Cd  Cd20  1  0.88491999  0.11508001  0.25000000  1.0
  Cd  Cd21  1  0.88491999  0.76983998  0.25000000  1.0
  Cd  Cd22  1  0.23016002  0.11508001  0.25000000  1.0
  Cd  Cd23  1  0.11509870  0.88490130  0.75000000  1.0
  Cd  Cd24  1  0.11509870  0.23019640  0.75000000  1.0
  Cd  Cd25  1  0.76980360  0.88490130  0.75000000  1.0
  Ir  Ir26  1  0.33333300  0.66666700  0.25000000  1.0
  Ru  Ru27  1  0.66666700  0.33333300  0.75000000  1.0