data_LiRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   2.51
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe
_chemical_formula_sum   'Li2 Re2'
_cell_volume   58.45
_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  0.1  0.0  0.98  1.0
  Li  Li1  1  0.3  0.0  0.3  1.0
  Re  Re2  1  0.1  0.26  0.65  1.0
  Re  Re3  1  0.3  0.26  0.63  1.0

data_LiRe
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.4
_cell_length_b   2.51
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   LiRe
_chemical_formula_sum   'Li2 Re2'
_cell_volume   58.45
_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  0.1  0.0  0.16  1.0
  Re  Re1  2  0.1  0.26  0.49  1.0

Li Li Re Re