data_LiCdCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdCu
_chemical_formula_sum   'Li1 Cd1 Cu1'
_cell_volume   46.43
_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  0.69  1.0
  Cd  Cd0  1  0.2  0.27  0.74  1.0
  Cu  Cu1  1  0.0  0.55  0.09  1.0

data_LiCdCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdCu
_chemical_formula_sum   'Li1 Cd1 Cu1'
_cell_volume   46.43
_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  0.69  0.0  0.0  1.0
  Cd  Cd1  1  0.74  0.2  0.27  1.0
  Cu  Cu2  1  0.09  0.0  0.55  1.0

Li Cd Cu
Li Cd Cu 0 1 o o o 0 2 o - + 0 2 o - o 0 2 o o + 1 2 o o + 1 2 o o o 2 2 o o + 