data_Tl2VAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   135.34
_cell_angle_beta   135.34
_cell_angle_gamma   65.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VAu
_chemical_formula_sum   'Tl2 V1 Au1'
_cell_volume   87.19
_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  0.0  0.0  0.75  1.0
  Tl  Tl2  1  0.0  0.14  0.38  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.14  0.0  0.38  1.0

data_Tl2VAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.64
_cell_angle_alpha   112.33
_cell_angle_beta   112.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2VAu
_chemical_formula_sum   'Tl2 V1 Au1'
_cell_volume   87.19
_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  Tl0  1  0.25  0.0  0.25  1.0
  Tl  Tl1  1  0.76  0.14  0.76  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.62  0.0  0.76  1.0

Tl Tl V Au