data_CdInGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   5.13
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   91.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInGe2
_chemical_formula_sum   'Cd1 In1 Ge2'
_cell_volume   91.96
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  In  In3  1  0.46  0.0  0.92  1.0
  Ge  Ge1  1  0.18  0.57  0.2  1.0
  Ge  Ge2  1  0.74  0.57  0.64  1.0

data_CdInGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.13
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   91.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInGe2
_chemical_formula_sum   'Cd1 In1 Ge2'
_cell_volume   91.96
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.46  0.0  0.92  1.0
  Ge  Ge2  1  0.18  0.57  0.2  1.0
  Ge  Ge3  1  0.74  0.57  0.64  1.0

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