data_AlVCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   155.8
_cell_angle_beta   155.8
_cell_angle_gamma   34.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVCd
_chemical_formula_sum   'Al1 V1 Cd1'
_cell_volume   50.01
_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
  Al  Al0  1  0.0  0.0  0.18  1.0
  V  V2  1  0.0  0.0  0.37  1.0
  Cd  Cd1  1  0.0  0.0  0.2  1.0

data_AlVCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlVCd
_chemical_formula_sum   'Al2 V2 Cd2'
_cell_volume   100.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Al  Al0  2  0.0  0.0  0.82  1.0
  V  V1  2  0.0  0.0  0.63  1.0
  Cd  Cd2  2  0.0  0.0  0.8  1.0

Al V Cd
Al V Cd 0 2 o o o 0 1 o o o 1 2 o o o 