# generated using pymatgen
data_Sc(FeGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06671351
_cell_length_b   5.06671351
_cell_length_c   8.08260770
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(FeGe)6
_chemical_formula_sum   'Sc1 Fe6 Ge6'
_cell_volume   179.69451828
_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  0.00000000  1
  Fe  Fe1  1  0.00000000  0.50000000  0.24893600  1
  Fe  Fe2  1  0.00000000  0.50000000  0.75106400  1
  Fe  Fe3  1  0.50000000  0.00000000  0.24893600  1
  Fe  Fe4  1  0.50000000  0.00000000  0.75106400  1
  Fe  Fe5  1  0.50000000  0.50000000  0.24893600  1
  Fe  Fe6  1  0.50000000  0.50000000  0.75106400  1
  Ge  Ge7  1  0.00000000  0.00000000  0.34193300  1
  Ge  Ge8  1  0.00000000  0.00000000  0.65806700  1
  Ge  Ge9  1  0.33333300  0.66666700  0.00000000  1
  Ge  Ge10  1  0.66666700  0.33333300  0.00000000  1
  Ge  Ge11  1  0.33333300  0.66666700  0.50000000  1
  Ge  Ge12  1  0.66666700  0.33333300  0.50000000  1
