data_Tl2VSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VSb
_chemical_formula_sum   'Tl2 V1 Sb1'
_cell_volume   97.88
_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  0.13  0.0  0.7  1.0
  Tl  Tl2  1  0.0  0.13  0.7  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.13  0.13  0.0  1.0

data_Tl2VSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2VSb
_chemical_formula_sum   'Tl4 V2 Sb2'
_cell_volume   195.75
_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  4  0.07  0.07  0.7  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.13  0.0  -0.0  1.0

Tl Tl V Sb
Tl Tl V Sb 0 1 o o o 2 3 o o o 