data_NbTl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2V
_chemical_formula_sum   'Nb1 Tl2 V1'
_cell_volume   78.77
_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
  Nb  Nb0  1  0.98  0.0  0.0  1.0
  Tl  Tl1  1  0.49  0.8  0.5  1.0
  Tl  Tl2  1  0.49  0.2  0.5  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_NbTl2V
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.32
_cell_length_b   3.0
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   111.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbTl2V
_chemical_formula_sum   'Nb1 Tl2 V1'
_cell_volume   78.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Nb  Nb0  1  0.98  0.0  0.0  1.0
  Tl  Tl1  1  0.49  0.5  0.2  1.0
  Tl  Tl2  1  0.49  0.5  0.8  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Nb Tl Tl V
Nb Tl Tl V 0 3 + o o 1 2 o + o 