data_NbFePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.31
_cell_length_c   2.74
_cell_angle_alpha   79.35
_cell_angle_beta   75.82
_cell_angle_gamma   24.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFePd
_chemical_formula_sum   'Nb1 Fe1 Pd1'
_cell_volume   44.83
_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  0.79  0.07  0.02  1.0
  Fe  Fe0  1  0.79  0.07  0.08  1.0
  Pd  Pd2  1  0.79  0.07  0.13  1.0

data_NbFePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.57
_cell_length_b   12.11
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   130.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbFePd
_chemical_formula_sum   'Nb2 Fe2 Pd2'
_cell_volume   89.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.29  0.5  0.81  1.0
  Fe  Fe1  2  0.29  0.5  0.86  1.0
  Pd  Pd2  2  0.29  0.5  0.91  1.0

Nb Fe Pd