data_Gd3Ge13Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07
_cell_length_b   9.07
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3Ge13Ru4
_chemical_formula_sum   'Gd6 Ge26 Ru8'
_cell_volume   746.26
_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  0.54  0.8  1.0
  Gd  Gd1  1  0.54  0.27  0.0  1.0
  Gd  Gd2  1  0.8  0.0  0.54  1.0
  Gd  Gd3  1  0.0  0.54  0.27  1.0
  Gd  Gd4  1  0.54  0.8  0.0  1.0
  Gd  Gd5  1  0.27  0.0  0.54  1.0
  Ge  Ge6  1  0.54  0.54  0.54  1.0
  Ge  Ge7  1  0.0  0.0  0.0  1.0
  Ge  Ge8  1  0.31  0.19  0.54  1.0
  Ge  Ge9  1  0.88  0.54  0.31  1.0
  Ge  Ge10  1  0.54  0.76  0.88  1.0
  Ge  Ge11  1  0.76  0.88  0.54  1.0
  Ge  Ge12  1  0.19  0.54  0.76  1.0
  Ge  Ge13  1  0.54  0.31  0.19  1.0
  Ge  Ge14  1  0.31  0.88  0.54  1.0
  Ge  Ge15  1  0.88  0.54  0.76  1.0
  Ge  Ge16  1  0.76  0.19  0.54  1.0
  Ge  Ge17  1  0.19  0.54  0.31  1.0
  Ge  Ge18  1  0.54  0.31  0.88  1.0
  Ge  Ge19  1  0.54  0.76  0.19  1.0
  Ge  Ge20  1  0.78  0.0  0.72  1.0
  Ge  Ge21  1  0.35  0.78  0.0  1.0
  Ge  Ge22  1  0.0  0.35  0.3  1.0
  Ge  Ge23  1  0.3  0.0  0.35  1.0
  Ge  Ge24  1  0.72  0.3  0.0  1.0
  Ge  Ge25  1  0.0  0.72  0.78  1.0
  Ge  Ge26  1  0.78  0.0  0.35  1.0
  Ge  Ge27  1  0.35  0.3  0.0  1.0
  Ge  Ge28  1  0.3  0.0  0.72  1.0
  Ge  Ge29  1  0.72  0.78  0.0  1.0
  Ge  Ge30  1  0.0  0.35  0.78  1.0
  Ge  Ge31  1  0.0  0.72  0.3  1.0
  Ru  Ru32  1  0.8  0.27  0.8  1.0
  Ru  Ru33  1  0.27  0.8  0.27  1.0
  Ru  Ru34  1  0.8  0.8  0.27  1.0
  Ru  Ru35  1  0.27  0.27  0.8  1.0
  Ru  Ru36  1  0.27  0.8  0.8  1.0
  Ru  Ru37  1  0.8  0.27  0.27  1.0
  Ru  Ru38  1  0.27  0.27  0.27  1.0
  Ru  Ru39  1  0.8  0.8  0.8  1.0

data_Gd3Ge13Ru4
_symmetry_space_group_name_H-M   R3
_cell_length_a   12.83
_cell_length_b   12.83
_cell_length_c   15.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Gd3Ge13Ru4
_chemical_formula_sum   'Gd18 Ge78 Ru24'
_cell_volume   2238.77
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.0  0.73  0.27  1.0
  Gd  Gd1  9  0.02  0.24  0.78  1.0
  Ge  Ge2  9  0.03  0.4  0.16  1.0
  Ge  Ge3  9  0.03  0.19  0.73  1.0
  Ge  Ge4  9  0.05  0.67  0.67  1.0
  Ge  Ge5  9  0.07  0.36  0.71  1.0
  Ge  Ge6  9  0.07  0.71  0.24  1.0
  Ge  Ge7  9  0.08  0.87  0.21  1.0
  Ge  Ge8  9  0.17  0.06  0.83  1.0
  Ge  Ge9  9  0.18  0.7  0.01  1.0
  Ge  Ge10  3  0.0  0.0  0.0  1.0
  Ge  Ge11  3  0.0  0.0  0.54  1.0
  Ru  Ru12  9  0.02  0.51  0.78  1.0
  Ru  Ru13  9  0.18  0.82  0.62  1.0
  Ru  Ru14  3  0.0  0.0  0.27  1.0
  Ru  Ru15  3  0.0  0.0  0.8  1.0

Gd Gd Gd Gd Gd Gd Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ru Ru Ru Ru Ru Ru Ru Ru