data_LiRe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Sb
_chemical_formula_sum   'Li1 Re2 Sb1'
_cell_volume   70.48
_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
  Li  Li0  1  0.0  0.0  0.18  1.0
  Re  Re1  1  0.51  0.0  0.4  1.0
  Re  Re2  1  0.0  0.0  0.32  1.0
  Sb  Sb3  1  0.51  0.0  0.79  1.0

data_LiRe2Sb
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.89
_cell_length_b   9.48
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   116.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   LiRe2Sb
_chemical_formula_sum   'Li1 Re2 Sb1'
_cell_volume   70.48
_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
  Li  Li0  1  0.0  0.82  0.0  1.0
  Re  Re1  1  0.0  0.68  0.0  1.0
  Re  Re2  1  0.5  0.6  0.0  1.0
  Sb  Sb3  1  0.5  0.21  0.0  1.0

Li Re Re Sb