data_Cd2CuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuGe
_chemical_formula_sum   'Cd2 Cu1 Ge1'
_cell_volume   76.08
_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  0.46  0.91  0.56  1.0
  Cd  Cd1  1  0.46  0.09  0.56  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.92  0.0  0.0  1.0

data_Cd2CuGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   110.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CuGe
_chemical_formula_sum   'Cd2 Cu1 Ge1'
_cell_volume   76.08
_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  0.56  0.46  0.91  1.0
  Cd  Cd1  1  0.56  0.46  0.09  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.92  0.0  1.0

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