data_VCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd3
_chemical_formula_sum   'V2 Cd6'
_cell_volume   159.23
_cell_formula_units_Z   2
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  V6  1  0.09  0.28  0.22  1.0
  V  V7  1  0.09  0.72  0.65  1.0
  Cd  Cd0  1  0.57  0.08  0.65  1.0
  Cd  Cd1  1  0.09  0.51  0.65  1.0
  Cd  Cd2  1  0.57  0.92  0.22  1.0
  Cd  Cd3  1  0.61  0.08  0.65  1.0
  Cd  Cd4  1  0.09  0.49  0.22  1.0
  Cd  Cd5  1  0.61  0.92  0.22  1.0

data_VCd3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.87
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   119.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VCd3
_chemical_formula_sum   'V2 Cd6'
_cell_volume   159.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.0  0.72  1.0
  Cd  Cd1  2  0.22  0.52  0.08  1.0
  Cd  Cd2  2  0.22  0.0  0.51  1.0
  Cd  Cd3  2  0.22  0.48  0.08  1.0

V V Cd Cd Cd Cd Cd Cd