data_NbFePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   147.04
_cell_angle_beta   134.58
_cell_angle_gamma   57.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFePd
_chemical_formula_sum   'Nb1 Fe1 Pd1'
_cell_volume   45.64
_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
  Nb  Nb1  1  0.0  0.0  0.93  1.0
  Fe  Fe0  1  0.0  0.0  0.63  1.0
  Pd  Pd2  1  0.0  0.0  0.7  1.0

data_NbFePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.79
_cell_length_c   4.91
_cell_angle_alpha   112.71
_cell_angle_beta   106.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFePd
_chemical_formula_sum   'Nb1 Fe1 Pd1'
_cell_volume   45.64
_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
  Nb  Nb0  1  0.07  0.07  0.07  1.0
  Fe  Fe1  1  0.37  0.37  0.37  1.0
  Pd  Pd2  1  0.3  0.3  0.3  1.0

Nb Fe Pd