data_Li2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.82
_cell_angle_alpha   100.97
_cell_angle_beta   100.97
_cell_angle_gamma   26.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Re
_chemical_formula_sum   'Li4 Re2'
_cell_volume   90.62
_cell_formula_units_Z   2
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
  Li  Li0  1  0.45  0.0  0.68  1.0
  Li  Li1  1  0.63  0.0  0.39  1.0
  Li  Li2  1  0.03  0.0  0.01  1.0
  Li  Li3  1  0.85  0.0  0.3  1.0
  Re  Re4  1  0.89  0.0  0.1  1.0
  Re  Re5  1  0.59  0.0  0.59  1.0

data_Li2Re
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.51
_cell_length_b   5.55
_cell_length_c   6.82
_cell_angle_alpha   100.97
_cell_angle_beta   90.0
_cell_angle_gamma   103.05
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li2Re
_chemical_formula_sum   'Li4 Re2'
_cell_volume   90.62
_cell_formula_units_Z   2
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
  Li  Li0  2  0.0  0.11  0.45  1.0
  Li  Li1  2  0.0  0.29  0.17  1.0
  Re  Re2  2  0.0  0.15  0.25  1.0

Li Li Li Li Re Re