data_LiCd2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2In
_chemical_formula_sum   'Li1 Cd2 In1'
_cell_volume   88.07
_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  Li3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.57  0.57  0.98  1.0
  Cd  Cd1  1  0.57  0.57  0.99  1.0
  In  In2  1  0.0  0.0  0.49  1.0

data_LiCd2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCd2In
_chemical_formula_sum   'Li2 Cd4 In2'
_cell_volume   176.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.07  0.5  0.98  1.0
  Cd  Cd2  2  0.07  0.5  0.99  1.0
  In  In3  2  0.0  0.0  0.49  1.0

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