data_Li2LaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   5.33
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   93.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaCd
_chemical_formula_sum   'Li2 La1 Cd1'
_cell_volume   103.65
_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  0.26  0.66  0.52  1.0
  Li  Li3  1  0.74  0.66  0.26  1.0
  La  La1  1  0.5  0.0  0.89  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Li2LaCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.33
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   93.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaCd
_chemical_formula_sum   'Li2 La1 Cd1'
_cell_volume   103.65
_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  0.26  0.66  0.52  1.0
  Li  Li1  1  0.74  0.66  0.26  1.0
  La  La2  1  0.5  0.0  0.89  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

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