data_BaVCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   149.96
_cell_angle_beta   143.03
_cell_angle_gamma   48.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVCd
_chemical_formula_sum   'Ba1 V1 Cd1'
_cell_volume   83.72
_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  0.0  0.0  0.02  1.0
  V  V2  1  0.0  0.0  0.41  1.0
  Cd  Cd1  1  0.0  0.0  0.5  1.0

data_BaVCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.14
_cell_length_c   6.54
_cell_angle_alpha   108.48
_cell_angle_beta   105.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVCd
_chemical_formula_sum   'Ba1 V1 Cd1'
_cell_volume   83.72
_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  0.98  0.98  0.98  1.0
  V  V1  1  0.59  0.59  0.59  1.0
  Cd  Cd2  1  0.5  0.5  0.5  1.0

Ba V Cd
Ba V Cd 0 2 o o o 0 1 o o o 1 2 o o o 