data_Nb2AgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgPd
_chemical_formula_sum   'Nb2 Ag1 Pd1'
_cell_volume   69.17
_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  0.0  0.81  1.0
  Nb  Nb2  1  0.79  0.0  0.55  1.0
  Ag  Ag0  1  0.79  0.0  0.28  1.0
  Pd  Pd3  1  0.0  0.0  0.48  1.0

data_Nb2AgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgPd
_chemical_formula_sum   'Nb2 Ag1 Pd1'
_cell_volume   69.17
_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  0.0  0.0  0.81  1.0
  Nb  Nb1  1  0.79  0.0  0.55  1.0
  Ag  Ag2  1  0.79  0.0  0.28  1.0
  Pd  Pd3  1  0.0  0.0  0.48  1.0

Nb Nb Ag Pd
Nb Nb Ag Pd 0 1 - o o 0 0 o + o 0 0 + o o 0 3 o o o 1 3 + o o 2 3 + o o 