data_Li2ScCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.97
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   95.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScCd
_chemical_formula_sum   'Li2 Sc1 Cd1'
_cell_volume   83.42
_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  0.31  0.0  0.15  1.0
  Li  Li2  1  0.12  0.49  0.09  1.0
  Sc  Sc3  1  0.41  0.0  0.01  1.0
  Cd  Cd0  1  0.92  0.49  0.97  1.0

data_Li2ScCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.97
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   95.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScCd
_chemical_formula_sum   'Li2 Sc1 Cd1'
_cell_volume   83.42
_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  0.12  0.49  0.09  1.0
  Li  Li1  1  0.31  0.0  0.15  1.0
  Sc  Sc2  1  0.41  0.0  0.01  1.0
  Cd  Cd3  1  0.92  0.49  0.97  1.0

Li Li Sc Cd
Li Li Sc Cd 0 2 o o o 1 3 - o - 