# generated using pymatgen
data_Sc20Cd6FeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95282890
_cell_length_b   8.95282791
_cell_length_c   9.11836544
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999630
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc20Cd6FeRu
_chemical_formula_sum   'Sc20 Cd6 Fe1 Ru1'
_cell_volume   632.94819122
_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  0.49965532  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00034468  1.0
  Sc  Sc2  1  0.21205751  0.78794249  0.43725628  1.0
  Sc  Sc3  1  0.21205751  0.42411802  0.43725628  1.0
  Sc  Sc4  1  0.57588198  0.78794249  0.43725628  1.0
  Sc  Sc5  1  0.79012630  0.20987370  0.55837847  1.0
  Sc  Sc6  1  0.79012630  0.58025059  0.55837847  1.0
  Sc  Sc7  1  0.41974941  0.20987370  0.55837847  1.0
  Sc  Sc8  1  0.79012630  0.20987370  0.94162153  1.0
  Sc  Sc9  1  0.79012630  0.58025059  0.94162153  1.0
  Sc  Sc10  1  0.41974941  0.20987370  0.94162153  1.0
  Sc  Sc11  1  0.21205751  0.78794249  0.06274372  1.0
  Sc  Sc12  1  0.21205751  0.42411802  0.06274372  1.0
  Sc  Sc13  1  0.57588198  0.78794249  0.06274372  1.0
  Sc  Sc14  1  0.53956984  0.46043016  0.25000000  1.0
  Sc  Sc15  1  0.53956984  0.07914069  0.25000000  1.0
  Sc  Sc16  1  0.92085931  0.46043016  0.25000000  1.0
  Sc  Sc17  1  0.45893615  0.54106385  0.75000000  1.0
  Sc  Sc18  1  0.45893615  0.91787230  0.75000000  1.0
  Sc  Sc19  1  0.08212770  0.54106385  0.75000000  1.0
  Cd  Cd20  1  0.88509911  0.11490089  0.25000000  1.0
  Cd  Cd21  1  0.88509911  0.77019822  0.25000000  1.0
  Cd  Cd22  1  0.22980178  0.11490089  0.25000000  1.0
  Cd  Cd23  1  0.11508301  0.88491699  0.75000000  1.0
  Cd  Cd24  1  0.11508301  0.23016402  0.75000000  1.0
  Cd  Cd25  1  0.76983598  0.88491699  0.75000000  1.0
  Fe  Fe26  1  0.33333300  0.66666700  0.25000000  1.0
  Ru  Ru27  1  0.66666700  0.33333300  0.75000000  1.0