data_LiCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75
_cell_length_b   9.75
_cell_length_c   9.75
_cell_angle_alpha   18.46
_cell_angle_beta   18.46
_cell_angle_gamma   18.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Ge
_chemical_formula_sum   'Li1 Cd2 Ge1'
_cell_volume   81.04
_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  0.0  0.0  0.28  1.0
  Cd  Cd1  1  0.0  0.0  0.45  1.0
  Ge  Ge2  1  0.0  0.0  0.37  1.0

data_LiCd2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   3.13
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   100.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiCd2Ge
_chemical_formula_sum   'Li2 Cd4 Ge2'
_cell_volume   162.08
_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  0.0  0.0  0.55  1.0
  Cd  Cd2  2  0.0  0.0  0.72  1.0
  Ge  Ge3  2  0.0  0.0  0.63  1.0

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