data_NbNiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.89
_cell_length_c   2.82
_cell_angle_alpha   76.43
_cell_angle_beta   75.89
_cell_angle_gamma   27.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiPd
_chemical_formula_sum   'Nb1 Ni1 Pd1'
_cell_volume   44.06
_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  0.97  0.01  0.09  1.0
  Ni  Ni1  1  0.97  0.01  0.38  1.0
  Pd  Pd2  1  0.97  0.01  0.62  1.0

data_NbNiPd
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.82
_cell_length_b   11.09
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   NbNiPd
_chemical_formula_sum   'Nb2 Ni2 Pd2'
_cell_volume   88.14
_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  0.07  1.0
  Ni  Ni1  2  0.0  0.0  0.35  1.0
  Pd  Pd2  2  0.0  0.0  0.59  1.0

Nb Ni Pd
Nb Ni Pd 0 1 o o o 1 2 o o o 