data_TlV2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   134.4
_cell_angle_beta   134.4
_cell_angle_gamma   66.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Re
_chemical_formula_sum   'Tl1 V2 Re1'
_cell_volume   63.34
_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  0.94  0.1  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.94  0.0  0.1  1.0
  Re  Re0  1  0.0  0.0  0.19  1.0

data_TlV2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.01
_cell_angle_alpha   112.8
_cell_angle_beta   112.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Re
_chemical_formula_sum   'Tl1 V2 Re1'
_cell_volume   63.34
_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  0.85  0.94  0.85  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.9  0.0  0.85  1.0
  Re  Re3  1  0.81  0.0  0.81  1.0

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