# generated using pymatgen
data_YScFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10075822
_cell_length_b   5.10075822
_cell_length_c   5.10093401
_cell_angle_alpha   90.00000000
_cell_angle_beta   60.00114008
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScFe4
_chemical_formula_sum   'Y1 Sc1 Fe4'
_cell_volume   93.84511446
_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
  Y  Y0  1  0.99999504  0.99999702  0.00000793  1.0
  Sc  Sc1  1  0.50000840  0.75000370  0.74998790  1.0
  Fe  Fe2  1  0.75052299  0.37526149  0.87421652  1.0
  Fe  Fe3  1  0.24947647  0.37526131  0.37526322  1.0
  Fe  Fe4  1  0.24947647  0.87421616  0.37526322  1.0
  Fe  Fe5  1  0.75052162  0.37526131  0.37526322  1.0