data_TlRe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   4.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe5
_chemical_formula_sum   'Tl1 Re5'
_cell_volume   96.51
_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  Tl5  1  0.01  0.0  0.03  1.0
  Re  Re0  1  0.01  0.05  0.0  1.0
  Re  Re1  1  0.01  0.8  0.03  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.01  0.2  0.03  1.0
  Re  Re4  1  0.01  0.95  0.0  1.0

data_TlRe5
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.01
_cell_length_b   4.05
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   108.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   TlRe5
_chemical_formula_sum   'Tl1 Re5'
_cell_volume   96.51
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.97  0.0  1.0
  Re  Re1  2  0.05  0.0  0.05  1.0
  Re  Re2  2  0.2  0.97  0.2  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0

Tl Re Re Re Re Re
Tl Re Re Re Re Re 0 3 o o o 0 1 o o o 0 5 o - o 1 3 o o o 1 4 o o o 2 5 o o o 3 5 o - o 