data_TlV2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   129.02
_cell_angle_beta   129.02
_cell_angle_gamma   74.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlV2Re
_chemical_formula_sum   'Tl1 V2 Re1'
_cell_volume   62.98
_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  0.77  1.0
  V  V2  1  0.0  0.04  0.88  1.0
  V  V3  1  0.04  0.0  0.88  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0

data_TlV2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   127.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlV2Re
_chemical_formula_sum   'Tl2 V4 Re2'
_cell_volume   125.95
_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  0.23  0.0  0.23  1.0
  V  V1  4  0.14  0.02  0.16  1.0
  Re  Re2  2  0.0  0.0  0.0  1.0

Tl V V Re