data_TiCdGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCdGe2
_chemical_formula_sum   'Ti1 Cd1 Ge2'
_cell_volume   73.84
_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
  Ti  Ti3  1  0.0  0.0  0.54  1.0
  Cd  Cd0  1  0.83  0.83  0.22  1.0
  Ge  Ge1  1  0.0  0.0  0.41  1.0
  Ge  Ge2  1  0.83  0.83  0.57  1.0

data_TiCdGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCdGe2
_chemical_formula_sum   'Ti2 Cd2 Ge4'
_cell_volume   147.69
_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
  Ti  Ti0  2  0.0  0.0  0.54  1.0
  Cd  Cd1  2  0.33  0.5  0.22  1.0
  Ge  Ge2  2  0.0  0.0  0.41  1.0
  Ge  Ge3  2  0.33  0.5  0.57  1.0

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