data_LiReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   2.92
_cell_angle_alpha   94.93
_cell_angle_beta   94.93
_cell_angle_gamma   100.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReCl2
_chemical_formula_sum   'Li1 Re1 Cl2'
_cell_volume   68.51
_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  Li2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.13  0.0  0.0  1.0
  Cl  Cl0  1  0.56  0.11  0.0  1.0
  Cl  Cl1  1  0.56  0.89  0.0  1.0

data_LiReCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   100.95
_cell_angle_beta   94.93
_cell_angle_gamma   94.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReCl2
_chemical_formula_sum   'Li1 Re1 Cl2'
_cell_volume   68.51
_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  0.0  1.0
  Re  Re1  1  -0.0  0.13  0.0  1.0
  Cl  Cl2  1  -0.0  0.56  0.89  1.0
  Cl  Cl3  1  -0.0  0.56  0.11  1.0

Li Re Cl Cl