data_TlVGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   147.89
_cell_angle_beta   147.89
_cell_angle_gamma   46.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlVGa
_chemical_formula_sum   'Tl1 V1 Ga1'
_cell_volume   58.28
_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  0.53  1.0
  V  V2  1  0.0  0.0  0.99  1.0
  Ga  Ga0  1  0.0  0.0  0.37  1.0

data_TlVGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   113.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlVGa
_chemical_formula_sum   'Tl2 V2 Ga2'
_cell_volume   116.57
_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  2  0.03  0.5  0.53  1.0
  V  V1  2  0.49  0.5  0.99  1.0
  Ga  Ga2  2  0.37  0.0  0.37  1.0

Tl V Ga
Tl V Ga 0 2 o o o 1 2 o o + 