data_ScFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   139.91
_cell_angle_beta   129.48
_cell_angle_gamma   66.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe2Pd
_chemical_formula_sum   'Sc1 Fe2 Pd1'
_cell_volume   59.66
_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  Sc3  1  0.0  0.0  0.27  1.0
  Fe  Fe0  1  0.7  0.0  0.15  1.0
  Fe  Fe1  1  0.0  0.0  0.95  1.0
  Pd  Pd2  1  0.7  0.0  0.08  1.0

data_ScFe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.23
_cell_length_c   4.96
_cell_angle_alpha   115.26
_cell_angle_beta   110.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe2Pd
_chemical_formula_sum   'Sc1 Fe2 Pd1'
_cell_volume   59.66
_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  0.73  0.73  0.73  1.0
  Fe  Fe1  1  0.05  0.05  0.05  1.0
  Fe  Fe2  1  0.55  0.85  0.55  1.0
  Pd  Pd3  1  0.62  0.92  0.62  1.0

Sc Fe Fe Pd