# generated using pymatgen
data_YScFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11911898
_cell_length_b   7.11911898
_cell_length_c   7.11911898
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScFe4
_chemical_formula_sum   'Y4 Sc4 Fe16'
_cell_volume   360.81015624
_cell_formula_units_Z   4
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
  Y  Y0  1  0.00000000  0.00000000  0.00000000  1
  Y  Y1  1  0.00000000  0.50000000  0.50000000  1
  Y  Y2  1  0.50000000  0.00000000  0.50000000  1
  Y  Y3  1  0.50000000  0.50000000  0.00000000  1
  Sc  Sc4  1  0.75000000  0.75000000  0.25000000  1
  Sc  Sc5  1  0.75000000  0.25000000  0.75000000  1
  Sc  Sc6  1  0.25000000  0.75000000  0.75000000  1
  Sc  Sc7  1  0.25000000  0.25000000  0.25000000  1
  Fe  Fe8  1  0.87542000  0.37542000  0.12458000  1
  Fe  Fe9  1  0.87542000  0.12458000  0.37542000  1
  Fe  Fe10  1  0.12458000  0.87542000  0.37542000  1
  Fe  Fe11  1  0.12458000  0.62458000  0.12458000  1
  Fe  Fe12  1  0.87542000  0.87542000  0.62458000  1
  Fe  Fe13  1  0.87542000  0.62458000  0.87542000  1
  Fe  Fe14  1  0.12458000  0.37542000  0.87542000  1
  Fe  Fe15  1  0.12458000  0.12458000  0.62458000  1
  Fe  Fe16  1  0.37542000  0.37542000  0.62458000  1
  Fe  Fe17  1  0.37542000  0.12458000  0.87542000  1
  Fe  Fe18  1  0.62458000  0.87542000  0.87542000  1
  Fe  Fe19  1  0.62458000  0.62458000  0.62458000  1
  Fe  Fe20  1  0.37542000  0.87542000  0.12458000  1
  Fe  Fe21  1  0.37542000  0.62458000  0.37542000  1
  Fe  Fe22  1  0.62458000  0.37542000  0.37542000  1
  Fe  Fe23  1  0.62458000  0.12458000  0.12458000  1
