data_Gd5P12Ru19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.57
_cell_length_b   12.57
_cell_length_c   3.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd5P12Ru19
_chemical_formula_sum   'Gd5 P12 Ru19'
_cell_volume   546.39
_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  0.15  1.0  1.0  1.0
  Gd  Gd1  1  0.27  0.0  1.0  1.0
  Gd  Gd2  1  0.87  0.89  1.0  1.0
  Gd  Gd3  1  0.0  0.26  0.0  1.0
  Gd  Gd4  1  0.28  0.63  0.0  1.0
  P  P5  1  0.12  0.87  0.0  1.0
  P  P6  1  0.33  0.0  0.0  1.0
  P  P7  1  0.84  0.02  0.0  1.0
  P  P8  1  0.16  0.2  1.0  1.0
  P  P9  1  0.2  0.56  1.0  1.0
  P  P10  1  0.64  0.01  1.0  1.0
  P  P11  1  0.45  0.69  1.0  1.0
  P  P12  1  0.49  0.33  1.0  1.0
  P  P13  1  0.92  0.87  1.0  1.0
  P  P14  1  0.35  0.07  0.0  1.0
  P  P15  1  0.87  0.0  0.0  1.0
  P  P16  1  0.06  0.82  0.0  1.0
  Ru  Ru17  1  0.49  0.04  0.0  1.0
  Ru  Ru18  1  0.6  0.0  0.0  1.0
  Ru  Ru19  1  0.2  0.85  0.0  1.0
  Ru  Ru20  1  0.5  0.8  1.0  1.0
  Ru  Ru21  1  0.57  0.0  1.0  1.0
  Ru  Ru22  1  0.22  0.09  1.0  1.0
  Ru  Ru23  1  0.95  0.11  0.0  1.0
  Ru  Ru24  1  0.75  0.79  0.0  1.0
  Ru  Ru25  1  0.3  0.88  0.0  1.0
  Ru  Ru26  1  0.23  0.78  0.0  1.0
  Ru  Ru27  1  0.04  0.1  0.0  1.0
  Ru  Ru28  1  0.58  0.01  0.0  1.0
  Ru  Ru29  1  0.52  0.35  1.0  1.0
  Ru  Ru30  1  0.89  0.52  1.0  1.0
  Ru  Ru31  1  0.59  0.9  1.0  1.0
  Ru  Ru32  1  0.8  0.54  1.0  1.0
  Ru  Ru33  1  0.18  0.36  1.0  1.0
  Ru  Ru34  1  0.87  0.99  1.0  1.0
  Ru  Ru35  1  0.0  0.0  0.0  1.0

data_Gd5P12Ru19
_symmetry_space_group_name_H-M   Pm
_cell_length_a   12.57
_cell_length_b   3.99
_cell_length_c   12.57
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Gd5P12Ru19
_chemical_formula_sum   'Gd5 P12 Ru19'
_cell_volume   546.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.26  1.0
  Gd  Gd1  1  0.15  0.0  1.0  1.0
  Gd  Gd2  1  0.27  0.0  0.0  1.0
  Gd  Gd3  1  0.28  0.0  0.63  1.0
  Gd  Gd4  1  0.87  0.0  0.89  1.0
  P  P5  1  0.06  0.0  0.82  1.0
  P  P6  1  0.12  0.0  0.87  1.0
  P  P7  1  0.16  0.0  0.2  1.0
  P  P8  1  0.2  0.0  0.56  1.0
  P  P9  1  0.33  0.0  0.0  1.0
  P  P10  1  0.35  0.0  0.07  1.0
  P  P11  1  0.45  0.0  0.69  1.0
  P  P12  1  0.49  0.0  0.33  1.0
  P  P13  1  0.64  0.0  0.01  1.0
  P  P14  1  0.84  0.0  0.02  1.0
  P  P15  1  0.87  0.0  0.0  1.0
  P  P16  1  0.92  0.0  0.87  1.0
  Ru  Ru17  1  0.0  0.0  0.0  1.0
  Ru  Ru18  1  0.04  0.0  0.1  1.0
  Ru  Ru19  1  0.18  0.0  0.36  1.0
  Ru  Ru20  1  0.2  0.0  0.85  1.0
  Ru  Ru21  1  0.22  0.0  0.09  1.0
  Ru  Ru22  1  0.23  0.0  0.78  1.0
  Ru  Ru23  1  0.3  0.0  0.88  1.0
  Ru  Ru24  1  0.49  0.0  0.04  1.0
  Ru  Ru25  1  0.5  0.0  0.8  1.0
  Ru  Ru26  1  0.52  0.0  0.35  1.0
  Ru  Ru27  1  0.57  0.0  0.0  1.0
  Ru  Ru28  1  0.58  0.0  0.01  1.0
  Ru  Ru29  1  0.59  0.0  0.9  1.0
  Ru  Ru30  1  0.6  0.0  0.0  1.0
  Ru  Ru31  1  0.75  0.0  0.79  1.0
  Ru  Ru32  1  0.8  0.0  0.54  1.0
  Ru  Ru33  1  0.87  0.0  0.99  1.0
  Ru  Ru34  1  0.89  0.0  0.52  1.0
  Ru  Ru35  1  0.95  0.0  0.11  1.0

Gd Gd Gd Gd Gd P P P P P P P P P P P P Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru
Gd Gd Gd Gd Gd P P P P P P P P P P P P Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru 0 22 o + o 1 14 o o + 1 6 o o + 2 13 o o o 2 24 o o + 3 23 - o o 3 33 o o - 4 9 o o - 5 16 o o o 5 19 o o o 6 14 o o o 7 34 o - - 7 15 o o o 7 23 o o o 8 27 o o + 8 33 o o o 10 18 o o + 10 31 o - o 11 20 o o o 12 29 o o o 15 34 o - - 15 23 o o o 17 21 o o - 17 28 o o o 18 28 o o o 18 31 o - - 19 26 o o o 19 25 o o o 20 31 o o o 21 28 o o + 21 31 o - o 23 34 o - - 23 27 + o o 25 26 o o o 27 35 o o o 28 31 o - - 30 32 o o o 