data_Li2ZnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZnCd
_chemical_formula_sum   'Li2 Zn1 Cd1'
_cell_volume   67.85
_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  0.51  0.16  0.53  1.0
  Li  Li2  1  0.51  0.84  0.53  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.02  0.0  0.0  1.0

data_Li2ZnCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   101.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZnCd
_chemical_formula_sum   'Li2 Zn1 Cd1'
_cell_volume   67.85
_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  0.53  0.51  0.16  1.0
  Li  Li1  1  0.53  0.51  0.84  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.02  0.0  1.0

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