data_GdCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdCuGe
_chemical_formula_sum   'Gd2 Cu2 Ge2'
_cell_volume   117.96
_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
  Gd  Gd2  1  0.0  0.0  0.0  1.0
  Gd  Gd3  1  0.0  0.0  0.78  1.0
  Cu  Cu0  1  0.0  0.45  0.89  1.0
  Cu  Cu1  1  0.12  0.23  0.67  1.0
  Ge  Ge4  1  0.12  0.23  0.89  1.0
  Ge  Ge5  1  0.0  0.45  0.67  1.0

data_GdCuGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdCuGe
_chemical_formula_sum   'Gd2 Cu2 Ge2'
_cell_volume   117.96
_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
  Gd  Gd0  1  0.0  0.0  0.0  1.0
  Gd  Gd1  1  0.0  0.0  0.78  1.0
  Cu  Cu2  1  0.0  0.45  0.89  1.0
  Cu  Cu3  1  0.12  0.23  0.67  1.0
  Ge  Ge4  1  0.0  0.45  0.67  1.0
  Ge  Ge5  1  0.12  0.23  0.89  1.0

Gd Gd Cu Cu Ge Ge