data_Nb3Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Pd4
_chemical_formula_sum   'Nb3 Pd4'
_cell_volume   118.06
_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  0.6  0.0  0.52  1.0
  Nb  Nb1  1  0.7  0.25  0.52  1.0
  Nb  Nb2  1  0.3  0.25  0.52  1.0
  Pd  Pd3  1  0.0  0.0  0.82  1.0
  Pd  Pd4  1  0.0  0.0  0.22  1.0
  Pd  Pd5  1  0.0  0.0  0.0  1.0
  Pd  Pd6  1  0.6  0.5  0.0  1.0

data_Nb3Pd4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Pd4
_chemical_formula_sum   'Nb3 Pd4'
_cell_volume   118.06
_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  0.52  0.3  0.25  1.0
  Nb  Nb1  1  0.52  0.6  0.0  1.0
  Nb  Nb2  1  0.52  0.7  0.25  1.0
  Pd  Pd3  1  0.0  -0.0  0.0  1.0
  Pd  Pd4  1  0.0  0.6  0.5  1.0
  Pd  Pd5  1  0.22  0.0  0.0  1.0
  Pd  Pd6  1  0.82  0.0  0.0  1.0

Nb Nb Nb Pd Pd Pd Pd