data_NaVCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.19
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVCd2
_chemical_formula_sum   'Na1 V1 Cd2'
_cell_volume   86.3
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.38  1.0
  Cd  Cd0  1  0.54  0.6  0.28  1.0
  Cd  Cd1  1  0.54  0.6  0.48  1.0

data_NaVCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.19
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVCd2
_chemical_formula_sum   'Na1 V1 Cd2'
_cell_volume   86.3
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.0  0.38  1.0
  Cd  Cd2  1  0.54  0.6  0.28  1.0
  Cd  Cd3  1  0.54  0.6  0.48  1.0

Na V Cd Cd
Na V Cd Cd 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 0 + o o 0 0 o + o 0 1 o o o 1 2 - - o 1 2 - o o 1 2 o - o 1 3 - - o 1 3 - o o 1 3 o - o 2 3 o o o 