data_Nb2AgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.18
_cell_angle_alpha   100.25
_cell_angle_beta   100.25
_cell_angle_gamma   33.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgPd
_chemical_formula_sum   'Nb2 Ag1 Pd1'
_cell_volume   69.02
_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  0.41  0.0  0.01  1.0
  Nb  Nb2  1  0.68  0.0  0.78  1.0
  Ag  Ag0  1  0.88  0.0  0.29  1.0
  Pd  Pd3  1  0.31  0.0  0.57  1.0

data_Nb2AgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.96
_cell_length_c   5.18
_cell_angle_alpha   100.25
_cell_angle_beta   90.0
_cell_angle_gamma   106.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgPd
_chemical_formula_sum   'Nb2 Ag1 Pd1'
_cell_volume   69.02
_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  0.32  0.22  1.0
  Nb  Nb1  1  0.0  0.59  0.99  1.0
  Ag  Ag2  1  0.0  0.12  0.71  1.0
  Pd  Pd3  1  0.0  0.69  0.43  1.0

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