data_Li2CdCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   128.91
_cell_angle_beta   128.91
_cell_angle_gamma   75.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdCo
_chemical_formula_sum   'Li2 Cd1 Co1'
_cell_volume   60.0
_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  0.01  0.85  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.01  0.0  0.85  1.0
  Co  Co1  1  0.0  0.0  0.7  1.0

data_Li2CdCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   4.67
_cell_angle_alpha   115.55
_cell_angle_beta   115.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdCo
_chemical_formula_sum   'Li2 Cd1 Co1'
_cell_volume   60.0
_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
  Li  Li1  1  0.84  0.85  0.84  1.0
  Cd  Cd2  1  0.85  0.84  0.84  1.0
  Co  Co3  1  0.7  0.7  0.7  1.0

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