data_NaTl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   5.06
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2V
_chemical_formula_sum   'Na1 Tl2 V1'
_cell_volume   90.61
_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
  Na  Na0  1  0.0  0.0  0.72  1.0
  Tl  Tl1  1  0.76  0.53  0.56  1.0
  Tl  Tl2  1  0.76  0.0  0.24  1.0
  V  V3  1  0.0  0.53  0.12  1.0

data_NaTl2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.06
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2V
_chemical_formula_sum   'Na1 Tl2 V1'
_cell_volume   90.61
_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
  Na  Na0  1  0.0  0.0  0.72  1.0
  Tl  Tl1  1  0.76  0.0  0.24  1.0
  Tl  Tl2  1  0.76  0.53  0.56  1.0
  V  V3  1  -0.0  0.53  0.12  1.0

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