data_VCd2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   4.48
_cell_angle_alpha   109.1
_cell_angle_beta   109.1
_cell_angle_gamma   31.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd2Sb
_chemical_formula_sum   'V1 Cd2 Sb1'
_cell_volume   85.75
_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  V3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.34  0.0  0.92  1.0
  Cd  Cd1  1  0.2  0.0  0.3  1.0
  Sb  Sb2  1  0.27  0.0  0.11  1.0

data_VCd2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.48
_cell_length_c   6.26
_cell_angle_alpha   109.1
_cell_angle_beta   105.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCd2Sb
_chemical_formula_sum   'V1 Cd2 Sb1'
_cell_volume   85.75
_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  0.0  0.3  0.2  1.0
  Cd  Cd2  1  0.0  0.92  0.34  1.0
  Sb  Sb3  1  0.0  0.11  0.27  1.0

V Cd Cd Sb
V Cd Cd Sb 0 3 o o o 0 2 o o o 1 3 o o + 2 3 o o o 