data_TlVGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   4.29
_cell_angle_alpha   105.39
_cell_angle_beta   105.39
_cell_angle_gamma   23.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVGe2
_chemical_formula_sum   'Tl1 V1 Ge2'
_cell_volume   81.49
_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  Tl2  1  0.54  0.0  0.83  1.0
  V  V3  1  0.91  0.0  0.99  1.0
  Ge  Ge0  1  0.95  0.0  0.29  1.0
  Ge  Ge1  1  0.53  0.0  0.08  1.0

data_TlVGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.29
_cell_length_c   7.04
_cell_angle_alpha   105.39
_cell_angle_beta   101.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVGe2
_chemical_formula_sum   'Tl1 V1 Ge2'
_cell_volume   81.49
_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  0.0  0.83  0.54  1.0
  V  V1  1  0.0  0.99  0.91  1.0
  Ge  Ge2  1  0.0  0.08  0.53  1.0
  Ge  Ge3  1  0.0  0.29  0.95  1.0

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