data_Nb2CdAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   132.85
_cell_angle_beta   132.85
_cell_angle_gamma   68.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdAg
_chemical_formula_sum   'Nb2 Cd1 Ag1'
_cell_volume   74.37
_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  Nb2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.08  0.0  0.15  1.0
  Cd  Cd1  1  0.0  0.08  0.15  1.0
  Ag  Ag0  1  0.0  0.0  0.29  1.0

data_Nb2CdAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.2
_cell_angle_alpha   113.57
_cell_angle_beta   113.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdAg
_chemical_formula_sum   'Nb2 Cd1 Ag1'
_cell_volume   74.37
_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  0.0  1.0
  Nb  Nb1  1  0.15  0.06  0.06  1.0
  Cd  Cd2  1  0.06  0.15  0.06  1.0
  Ag  Ag3  1  0.29  0.29  0.29  1.0

Nb Nb Cd Ag
Nb Nb Cd Ag 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 