data_Nb2CdAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.43
_cell_angle_alpha   98.86
_cell_angle_beta   98.86
_cell_angle_gamma   32.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdAg
_chemical_formula_sum   'Nb2 Cd1 Ag1'
_cell_volume   74.61
_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  0.04  0.0  0.15  1.0
  Nb  Nb3  1  0.12  0.0  0.21  1.0
  Cd  Cd1  1  0.81  0.0  0.93  1.0
  Ag  Ag0  1  0.42  0.0  0.74  1.0

data_Nb2CdAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.1
_cell_length_c   5.43
_cell_angle_alpha   98.86
_cell_angle_beta   90.0
_cell_angle_gamma   106.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdAg
_chemical_formula_sum   'Nb2 Cd1 Ag1'
_cell_volume   74.61
_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  0.88  0.79  1.0
  Nb  Nb1  1  0.0  0.96  0.85  1.0
  Cd  Cd2  1  0.0  0.19  0.07  1.0
  Ag  Ag3  1  0.0  0.58  0.26  1.0

Nb Nb Cd Ag