data_TlV2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   144.86
_cell_angle_beta   128.49
_cell_angle_gamma   63.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Pt
_chemical_formula_sum   'Tl1 V2 Pt1'
_cell_volume   66.18
_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  0.3  0.26  1.0
  V  V2  1  0.0  0.0  0.21  1.0
  V  V3  1  0.6  0.0  0.18  1.0
  Pt  Pt0  1  0.0  0.0  0.34  1.0

data_TlV2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.6
_cell_length_c   5.3
_cell_angle_alpha   115.75
_cell_angle_beta   107.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Pt
_chemical_formula_sum   'Tl1 V2 Pt1'
_cell_volume   66.18
_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  0.74  0.04  0.04  1.0
  V  V1  1  0.42  0.82  0.42  1.0
  V  V2  1  0.79  0.79  0.79  1.0
  Pt  Pt3  1  0.66  0.66  0.66  1.0

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