data_TlVPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   132.94
_cell_angle_beta   132.15
_cell_angle_gamma   69.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVPt2
_chemical_formula_sum   'Tl1 V1 Pt2'
_cell_volume   66.58
_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  0.11  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.03  0.13  1.0
  Pt  Pt1  1  1.0  0.0  0.98  1.0

data_TlVPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.06
_cell_length_c   5.0
_cell_angle_alpha   113.92
_cell_angle_beta   113.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVPt2
_chemical_formula_sum   'Tl1 V1 Pt2'
_cell_volume   66.58
_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  0.89  0.89  0.89  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.02  0.02  0.02  1.0
  Pt  Pt3  1  0.87  0.9  0.9  1.0

Tl V Pt Pt
Tl V Pt Pt 0 2 o o o 1 3 - o - 