data_Nb3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.57
_cell_length_b   10.57
_cell_length_c   10.57
_cell_angle_alpha   15.77
_cell_angle_beta   15.77
_cell_angle_gamma   15.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Cd
_chemical_formula_sum   'Nb3 Cd1'
_cell_volume   75.95
_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  0.84  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.0  0.0  0.46  1.0
  Cd  Cd0  1  0.0  0.0  0.65  1.0

data_Nb3Cd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   2.9
_cell_length_c   10.57
_cell_angle_alpha   90.0
_cell_angle_beta   99.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb3Cd
_chemical_formula_sum   'Nb6 Cd2'
_cell_volume   151.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.54  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  Nb  Nb2  2  0.0  0.0  0.16  1.0
  Cd  Cd3  2  0.0  0.0  0.35  1.0

Nb Nb Nb Cd
Nb Nb Nb Cd 0 3 o o o 0 1 o o + 2 3 o o o 