data_VZnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnCd2
_chemical_formula_sum   'V1 Zn1 Cd2'
_cell_volume   69.98
_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  V2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.33  1.0
  Cd  Cd0  1  0.98  0.0  0.52  1.0
  Cd  Cd1  1  0.98  0.0  0.14  1.0

data_VZnCd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VZnCd2
_chemical_formula_sum   'V1 Zn1 Cd2'
_cell_volume   70.02
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.33  1.0
  Cd  Cd2  1  0.98  0.0  0.14  1.0
  Cd  Cd3  1  0.98  0.0  0.52  1.0

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