data_NbPdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.49
_cell_length_c   2.87
_cell_angle_alpha   77.56
_cell_angle_beta   76.94
_cell_angle_gamma   25.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPdAu
_chemical_formula_sum   'Nb1 Pd1 Au1'
_cell_volume   50.79
_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  0.05  0.29  1.0
  Pd  Pd2  1  0.0  0.05  0.05  1.0
  Au  Au0  1  0.0  0.05  0.01  1.0

data_NbPdAu
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.87
_cell_length_b   12.35
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   NbPdAu
_chemical_formula_sum   'Nb2 Pd2 Au2'
_cell_volume   101.62
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.0  0.0  0.66  1.0
  Pd  Pd1  2  0.0  0.0  0.9  1.0
  Au  Au2  2  0.0  0.0  0.93  1.0

Nb Pd Au