data_NaTl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2V
_chemical_formula_sum   'Na1 Tl2 V1'
_cell_volume   104.77
_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  0.87  0.0  0.31  1.0
  Tl  Tl2  1  0.0  0.0  0.56  1.0
  V  V3  1  0.87  0.0  0.32  1.0

data_NaTl2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2V
_chemical_formula_sum   'Na1 Tl2 V1'
_cell_volume   104.77
_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  0.0  0.0  0.56  1.0
  Tl  Tl2  1  0.87  0.0  0.31  1.0
  V  V3  1  0.87  0.0  0.32  1.0

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