data_VZn2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.21
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   102.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn2Cd
_chemical_formula_sum   'V1 Zn2 Cd1'
_cell_volume   65.31
_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  0.0  0.0  1.0
  Zn  Zn2  1  0.51  0.11  0.23  1.0
  Zn  Zn3  1  0.96  0.11  0.41  1.0
  Cd  Cd0  1  0.73  0.0  0.82  1.0

data_VZn2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.21
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   102.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn2Cd
_chemical_formula_sum   'V1 Zn2 Cd1'
_cell_volume   65.31
_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
  Zn  Zn1  1  0.51  0.11  0.23  1.0
  Zn  Zn2  1  0.96  0.11  0.41  1.0
  Cd  Cd3  1  0.73  0.0  0.82  1.0

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