data_NaTlRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   124.96
_cell_angle_beta   118.38
_cell_angle_gamma   87.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlRe2
_chemical_formula_sum   'Na1 Tl1 Re2'
_cell_volume   70.92
_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
  Na  Na0  1  0.0  0.0  0.65  1.0
  Tl  Tl3  1  0.0  0.4  0.01  1.0
  Re  Re1  1  0.0  0.4  0.26  1.0
  Re  Re2  1  0.0  0.0  0.28  1.0

data_NaTlRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   61.62
_cell_angle_beta   62.48
_cell_angle_gamma   62.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlRe2
_chemical_formula_sum   'Na1 Tl1 Re2'
_cell_volume   70.92
_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
  Na  Na0  1  0.0  0.0  0.65  1.0
  Tl  Tl1  1  0.4  -0.0  0.61  1.0
  Re  Re2  1  0.0  0.0  0.28  1.0
  Re  Re3  1  0.4  -0.0  0.85  1.0

Na Tl Re Re