data_NbFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   136.29
_cell_angle_beta   131.75
_cell_angle_gamma   67.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Pd
_chemical_formula_sum   'Nb1 Fe2 Pd1'
_cell_volume   55.82
_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  Nb2  1  0.0  0.0  0.95  1.0
  Fe  Fe0  1  0.0  0.0  0.07  1.0
  Fe  Fe1  1  0.78  0.0  0.95  1.0
  Pd  Pd3  1  0.0  0.96  0.02  1.0

data_NbFe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.92
_cell_length_c   4.79
_cell_angle_alpha   114.13
_cell_angle_beta   111.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Pd
_chemical_formula_sum   'Nb1 Fe2 Pd1'
_cell_volume   55.82
_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  0.05  0.05  0.05  1.0
  Fe  Fe1  1  0.83  0.05  0.83  1.0
  Fe  Fe2  1  0.93  0.93  0.93  1.0
  Pd  Pd3  1  0.98  0.94  0.94  1.0

Nb Fe Fe Pd