# generated using pymatgen
data_Sc4Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89600797
_cell_length_b   6.89600797
_cell_length_c   6.89600797
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Fe
_chemical_formula_sum   'Sc8 Fe2'
_cell_volume   231.88799567
_cell_formula_units_Z   2
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  0.61345200  0.61345200  0.61345200  1.0
  Sc  Sc1  1  0.15964500  0.61345200  0.61345200  1.0
  Sc  Sc2  1  0.61345200  0.15964500  0.61345200  1.0
  Sc  Sc3  1  0.59035500  0.13654800  0.13654800  1.0
  Sc  Sc4  1  0.13654800  0.13654800  0.13654800  1.0
  Sc  Sc5  1  0.61345200  0.61345200  0.15964500  1.0
  Sc  Sc6  1  0.13654800  0.59035500  0.13654800  1.0
  Sc  Sc7  1  0.13654800  0.13654800  0.59035500  1.0
  Fe  Fe8  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe9  1  0.75000000  0.75000000  0.75000000  1.0