data_TlV2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Cd
_chemical_formula_sum   'Tl1 V2 Cd1'
_cell_volume   75.11
_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  0.64  0.0  0.11  1.0
  V  V2  1  0.0  0.0  0.99  1.0
  V  V3  1  0.64  0.0  0.28  1.0
  Cd  Cd0  1  0.0  0.0  0.94  1.0

data_TlV2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Cd
_chemical_formula_sum   'Tl1 V2 Cd1'
_cell_volume   75.11
_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  0.64  0.0  0.11  1.0
  V  V1  1  0.0  0.0  0.99  1.0
  V  V2  1  0.64  0.0  0.28  1.0
  Cd  Cd3  1  0.0  0.0  0.94  1.0

Tl V V Cd