data_TlV2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31
_cell_length_b   9.31
_cell_length_c   9.31
_cell_angle_alpha   17.85
_cell_angle_beta   17.85
_cell_angle_gamma   17.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Pt
_chemical_formula_sum   'Tl1 V2 Pt1'
_cell_volume   66.26
_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  0.74  1.0
  V  V2  1  0.0  0.0  0.01  1.0
  V  V3  1  0.0  0.0  0.48  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0

data_TlV2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   2.89
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   100.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlV2Pt
_chemical_formula_sum   'Tl2 V4 Pt2'
_cell_volume   132.52
_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  0.26  1.0
  V  V1  2  -0.0  0.0  0.99  1.0
  V  V2  2  0.0  0.0  0.52  1.0
  Pt  Pt3  2  0.0  0.0  0.0  1.0

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