data_Li2CdRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   4.67
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   99.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdRe
_chemical_formula_sum   'Li2 Cd1 Re1'
_cell_volume   64.37
_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  Li1  1  0.52  0.33  0.09  1.0
  Li  Li2  1  0.86  0.0  0.32  1.0
  Cd  Cd0  1  0.86  0.0  0.88  1.0
  Re  Re3  1  0.99  0.33  0.67  1.0

data_Li2CdRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.67
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   99.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdRe
_chemical_formula_sum   'Li2 Cd1 Re1'
_cell_volume   64.37
_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  0.52  0.33  0.09  1.0
  Li  Li1  1  0.86  0.0  0.32  1.0
  Cd  Cd2  1  0.86  0.0  0.88  1.0
  Re  Re3  1  0.99  0.33  0.67  1.0

Li Li Cd Re
Li Li Cd Re 0 2 - o - 0 2 o o - 0 3 - o - 0 0 + o o 0 1 o o o 0 1 - o o 1 1 + o o 1 2 o o - 1 3 o o o 2 2 + o o 2 3 o o o 3 3 + o o 