data_Cu2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   13.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Ge
_chemical_formula_sum   'Cu4 Ge2'
_cell_volume   86.43
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.0  0.0  0.34  1.0
  Cu  Cu1  1  0.0  0.0  0.88  1.0
  Cu  Cu2  1  0.0  0.0  0.74  1.0
  Cu  Cu3  1  0.0  0.0  0.2  1.0
  Ge  Ge4  1  0.0  0.59  0.27  1.0
  Ge  Ge5  1  0.38  0.8  0.81  1.0

data_Cu2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   13.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Ge
_chemical_formula_sum   'Cu4 Ge2'
_cell_volume   86.43
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.0  0.0  0.2  1.0
  Cu  Cu1  1  0.0  0.0  0.34  1.0
  Cu  Cu2  1  0.0  0.0  0.74  1.0
  Cu  Cu3  1  0.0  0.0  0.88  1.0
  Ge  Ge4  1  0.0  0.59  0.27  1.0
  Ge  Ge5  1  0.38  0.8  0.81  1.0

Cu Cu Cu Cu Ge Ge
Cu Cu Cu Cu Ge Ge 0 4 o - o 1 5 - - o 1 5 o - o 1 2 o o o 2 5 - - o 2 5 o - o 3 4 o - o 