data_Tl4Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   93.81
_cell_angle_beta   93.81
_cell_angle_gamma   150.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Re
_chemical_formula_sum   'Tl4 Re1'
_cell_volume   135.25
_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  0.87  0.16  0.0  1.0
  Tl  Tl2  1  0.16  0.08  0.0  1.0
  Tl  Tl3  1  0.6  0.31  0.69  1.0
  Tl  Tl4  1  0.31  0.4  0.69  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0

data_Tl4Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   86.19
_cell_angle_beta   75.05
_cell_angle_gamma   75.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Re
_chemical_formula_sum   'Tl4 Re1'
_cell_volume   135.25
_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  0.08  0.08  -0.0  1.0
  Tl  Tl1  1  0.16  0.71  -0.0  1.0
  Tl  Tl2  1  0.31  0.29  0.31  1.0
  Tl  Tl3  1  0.4  0.92  0.31  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0

Tl Tl Tl Tl Re