data_CdInGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.37
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInGe2
_chemical_formula_sum   'Cd1 In1 Ge2'
_cell_volume   88.37
_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  0.0  0.0  0.19  1.0
  Ge  Ge1  1  0.59  0.18  0.51  1.0
  Ge  Ge2  1  0.59  0.18  0.86  1.0

data_CdInGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.37
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInGe2
_chemical_formula_sum   'Cd1 In1 Ge2'
_cell_volume   88.37
_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  0.0  0.0  0.19  1.0
  Ge  Ge2  1  0.59  0.18  0.51  1.0
  Ge  Ge3  1  0.59  0.18  0.86  1.0

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