# generated using pymatgen
data_ScFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05093423
_cell_length_b   9.35165468
_cell_length_c   10.08006847
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeGe2
_chemical_formula_sum   'Sc12 Fe12 Ge24'
_cell_volume   758.92388732
_cell_formula_units_Z   12
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  0.74250990  0.82950616  0.04760205  1.0
  Sc  Sc1  1  0.74250990  0.17049384  0.95239795  1.0
  Sc  Sc2  1  0.25749010  0.67049384  0.54760205  1.0
  Sc  Sc3  1  0.25749010  0.32950616  0.45239795  1.0
  Sc  Sc4  1  0.25749010  0.17049384  0.95239795  1.0
  Sc  Sc5  1  0.25749010  0.82950616  0.04760205  1.0
  Sc  Sc6  1  0.74250990  0.32950616  0.45239795  1.0
  Sc  Sc7  1  0.74250990  0.67049384  0.54760205  1.0
  Sc  Sc8  1  0.50000000  0.83637319  0.32202331  1.0
  Sc  Sc9  1  0.50000000  0.16362681  0.67797669  1.0
  Sc  Sc10  1  0.50000000  0.66362681  0.82202331  1.0
  Sc  Sc11  1  0.50000000  0.33637319  0.17797669  1.0
  Fe  Fe12  1  0.75130938  0.58100410  0.24475661  1.0
  Fe  Fe13  1  0.75130938  0.41899590  0.75524339  1.0
  Fe  Fe14  1  0.24869062  0.91899590  0.74475661  1.0
  Fe  Fe15  1  0.24869062  0.08100410  0.25524339  1.0
  Fe  Fe16  1  0.24869062  0.41899590  0.75524339  1.0
  Fe  Fe17  1  0.24869062  0.58100410  0.24475661  1.0
  Fe  Fe18  1  0.75130938  0.08100410  0.25524339  1.0
  Fe  Fe19  1  0.75130938  0.91899590  0.74475661  1.0
  Fe  Fe20  1  0.74543657  -0.00000000  0.50000000  1.0
  Fe  Fe21  1  0.25456343  0.50000000  -0.00000000  1.0
  Fe  Fe22  1  0.25456343  -0.00000000  0.50000000  1.0
  Fe  Fe23  1  0.74543657  0.50000000  -0.00000000  1.0
  Ge  Ge24  1  0.84389348  0.83137733  0.31803274  1.0
  Ge  Ge25  1  0.84389348  0.16862267  0.68196726  1.0
  Ge  Ge26  1  0.15610652  0.66862267  0.81803274  1.0
  Ge  Ge27  1  0.15610652  0.33137733  0.18196726  1.0
  Ge  Ge28  1  0.15610652  0.16862267  0.68196726  1.0
  Ge  Ge29  1  0.15610652  0.83137733  0.31803274  1.0
  Ge  Ge30  1  0.84389348  0.33137733  0.18196726  1.0
  Ge  Ge31  1  0.84389348  0.66862267  0.81803274  1.0
  Ge  Ge32  1  0.50000000  0.54165385  0.37773090  1.0
  Ge  Ge33  1  0.50000000  0.45834615  0.62226910  1.0
  Ge  Ge34  1  0.50000000  0.95834615  0.87773090  1.0
  Ge  Ge35  1  0.50000000  0.04165385  0.12226910  1.0
  Ge  Ge36  1  0.00000000  0.54070843  0.37833635  1.0
  Ge  Ge37  1  0.00000000  0.45929157  0.62166365  1.0
  Ge  Ge38  1  0.00000000  0.95929157  0.87833635  1.0
  Ge  Ge39  1  0.00000000  0.04070843  0.12166365  1.0
  Ge  Ge40  1  0.50000000  0.63088338  0.10458166  1.0
  Ge  Ge41  1  0.50000000  0.36911662  0.89541834  1.0
  Ge  Ge42  1  0.50000000  0.86911662  0.60458166  1.0
  Ge  Ge43  1  0.50000000  0.13088338  0.39541834  1.0
  Ge  Ge44  1  0.00000000  0.62492165  0.09605351  1.0
  Ge  Ge45  1  0.00000000  0.37507835  0.90394649  1.0
  Ge  Ge46  1  0.00000000  0.87507835  0.59605351  1.0
  Ge  Ge47  1  0.00000000  0.12492165  0.40394649  1.0