data_VCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd2
_chemical_formula_sum   'V1 Cd2'
_cell_volume   58.64
_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  V2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.4  0.38  0.47  1.0
  Cd  Cd1  1  0.0  0.77  0.47  1.0

data_VCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd2
_chemical_formula_sum   'V1 Cd2'
_cell_volume   58.64
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.47  0.0  0.77  1.0
  Cd  Cd2  1  0.47  0.4  0.38  1.0

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