data_TlVCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   144.86
_cell_angle_beta   134.11
_cell_angle_gamma   59.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVCd
_chemical_formula_sum   'Tl1 V1 Cd1'
_cell_volume   64.67
_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  Tl1  1  0.0  0.0  0.29  1.0
  V  V2  1  0.0  0.0  0.17  1.0
  Cd  Cd0  1  0.0  0.0  0.36  1.0

data_TlVCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.21
_cell_length_c   5.41
_cell_angle_alpha   112.95
_cell_angle_beta   107.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVCd
_chemical_formula_sum   'Tl1 V1 Cd1'
_cell_volume   64.67
_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  Tl0  1  0.71  0.71  0.71  1.0
  V  V1  1  0.83  0.83  0.83  1.0
  Cd  Cd2  1  0.64  0.64  0.64  1.0

Tl V Cd
Tl V Cd 0 2 o o o 0 1 o o o 