data_BaVCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVCd
_chemical_formula_sum   'Ba1 V1 Cd1'
_cell_volume   96.96
_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
  Ba  Ba0  1  0.55  0.47  0.16  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.94  0.0  1.0

data_BaVCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVCd
_chemical_formula_sum   'Ba1 V1 Cd1'
_cell_volume   96.96
_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
  Ba  Ba0  1  0.16  0.55  0.47  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  -0.0  0.0  0.94  1.0

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