data_V2ZnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   140.19
_cell_angle_beta   134.4
_cell_angle_gamma   62.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2ZnCd
_chemical_formula_sum   'V2 Zn1 Cd1'
_cell_volume   60.98
_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
  V  V1  1  0.0  0.99  0.25  1.0
  V  V2  1  0.75  0.0  0.14  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.39  1.0

data_V2ZnCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.97
_cell_length_c   5.13
_cell_angle_alpha   112.8
_cell_angle_beta   109.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2ZnCd
_chemical_formula_sum   'V2 Zn1 Cd1'
_cell_volume   60.98
_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
  V  V0  1  0.6  0.86  0.6  1.0
  V  V1  1  0.75  0.73  0.73  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.61  0.61  0.61  1.0

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