data_Gd(CuGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   4.11
_cell_angle_alpha   109.9
_cell_angle_beta   109.9
_cell_angle_gamma   40.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd(CuGe)2
_chemical_formula_sum   'Gd1 Cu2 Ge2'
_cell_volume   86.93
_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
  Gd  Gd0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.96  0.0  0.88  1.0
  Cu  Cu2  1  0.61  0.0  0.95  1.0
  Ge  Ge3  1  0.61  0.0  0.52  1.0
  Ge  Ge4  1  0.97  0.0  0.31  1.0

data_Gd(CuGe)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.11
_cell_length_c   5.9
_cell_angle_alpha   109.9
_cell_angle_beta   110.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd(CuGe)2
_chemical_formula_sum   'Gd1 Cu2 Ge2'
_cell_volume   86.93
_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
  Gd  Gd0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.88  0.96  1.0
  Cu  Cu2  1  0.0  0.95  0.61  1.0
  Ge  Ge3  1  0.0  0.31  0.97  1.0
  Ge  Ge4  1  0.0  0.52  0.61  1.0

Gd Cu Cu Ge Ge
Gd Cu Cu Ge Ge 0 1 - o - 0 2 - o - 0 4 - o o 1 2 o o o 1 3 o o o 2 3 o o o 2 4 o o + 