data_Tl2VIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VIn
_chemical_formula_sum   'Tl2 V1 In1'
_cell_volume   92.07
_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  0.69  0.0  0.59  1.0
  Tl  Tl2  1  0.0  0.69  0.59  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.69  0.69  0.0  1.0

data_Tl2VIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2VIn
_chemical_formula_sum   'Tl4 V2 In2'
_cell_volume   184.15
_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  0.34  0.34  0.59  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.19  0.5  0.0  1.0

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