data_TlVCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.22
_cell_length_b   10.22
_cell_length_c   10.22
_cell_angle_alpha   18.14
_cell_angle_beta   18.14
_cell_angle_gamma   18.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVCd2
_chemical_formula_sum   'Tl1 V1 Cd2'
_cell_volume   90.36
_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
  Tl  Tl2  1  0.0  0.0  0.07  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.34  1.0
  Cd  Cd1  1  0.0  0.0  0.81  1.0

data_TlVCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   3.22
_cell_length_c   10.22
_cell_angle_alpha   90.0
_cell_angle_beta   100.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlVCd2
_chemical_formula_sum   'Tl2 V2 Cd4'
_cell_volume   180.72
_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
  Tl  Tl0  2  -0.0  0.0  0.93  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  2  -0.0  0.0  0.66  1.0
  Cd  Cd3  2  -0.0  0.0  0.19  1.0

Tl V Cd Cd
Tl V Cd Cd 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o - 2 2 o + - 2 2 + - o 2 2 + o - 