data_La3Sn13Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Sn13Ru4
_chemical_formula_sum   'La6 Sn26 Ru8'
_cell_volume   963.77
_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
  La  La0  1  0.94  0.47  0.0  1.0
  La  La1  1  0.41  0.0  0.94  1.0
  La  La2  1  0.0  0.94  0.41  1.0
  La  La3  1  0.94  0.41  0.0  1.0
  La  La4  1  0.47  0.0  0.94  1.0
  La  La5  1  0.0  0.94  0.47  1.0
  Sn  Sn6  1  0.94  0.95  0.47  1.0
  Sn  Sn7  1  0.92  0.41  0.94  1.0
  Sn  Sn8  1  0.47  0.94  0.92  1.0
  Sn  Sn9  1  0.94  0.92  0.41  1.0
  Sn  Sn10  1  0.95  0.47  0.94  1.0
  Sn  Sn11  1  0.41  0.94  0.95  1.0
  Sn  Sn12  1  0.92  0.47  0.94  1.0
  Sn  Sn13  1  0.47  0.94  0.95  1.0
  Sn  Sn14  1  0.95  0.41  0.94  1.0
  Sn  Sn15  1  0.41  0.94  0.92  1.0
  Sn  Sn16  1  0.94  0.92  0.47  1.0
  Sn  Sn17  1  0.94  0.95  0.41  1.0
  Sn  Sn18  1  0.0  0.53  0.89  1.0
  Sn  Sn19  1  0.99  0.0  0.35  1.0
  Sn  Sn20  1  0.53  0.99  0.0  1.0
  Sn  Sn21  1  0.0  0.35  0.99  1.0
  Sn  Sn22  1  0.89  0.0  0.53  1.0
  Sn  Sn23  1  0.35  0.89  0.0  1.0
  Sn  Sn24  1  0.99  0.0  0.53  1.0
  Sn  Sn25  1  0.53  0.89  0.0  1.0
  Sn  Sn26  1  0.89  0.0  0.35  1.0
  Sn  Sn27  1  0.35  0.99  0.0  1.0
  Sn  Sn28  1  0.0  0.53  0.99  1.0
  Sn  Sn29  1  0.0  0.35  0.89  1.0
  Sn  Sn30  1  0.94  0.94  0.94  1.0
  Sn  Sn31  1  0.0  0.0  0.0  1.0
  Ru  Ru32  1  0.41  0.47  0.41  1.0
  Ru  Ru33  1  0.47  0.41  0.47  1.0
  Ru  Ru34  1  0.41  0.41  0.47  1.0
  Ru  Ru35  1  0.47  0.47  0.41  1.0
  Ru  Ru36  1  0.47  0.41  0.41  1.0
  Ru  Ru37  1  0.41  0.47  0.47  1.0
  Ru  Ru38  1  0.47  0.47  0.47  1.0
  Ru  Ru39  1  0.41  0.41  0.41  1.0

data_La3Sn13Ru4
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.97
_cell_length_b   13.97
_cell_length_c   17.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   La3Sn13Ru4
_chemical_formula_sum   'La18 Sn78 Ru24'
_cell_volume   2891.31
_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
  La  La0  9  0.0  0.53  0.47  1.0
  La  La1  9  0.16  0.78  0.78  1.0
  Sn  Sn2  9  0.01  0.5  0.45  1.0
  Sn  Sn3  9  0.02  0.5  0.5  1.0
  Sn  Sn4  9  0.02  0.52  0.44  1.0
  Sn  Sn5  9  0.06  0.47  0.47  1.0
  Sn  Sn6  9  0.14  0.4  0.75  1.0
  Sn  Sn7  9  0.17  0.82  0.76  1.0
  Sn  Sn8  9  0.17  0.36  0.77  1.0
  Sn  Sn9  9  0.21  0.43  0.78  1.0
  Sn  Sn10  3  0.0  0.0  -0.0  1.0
  Sn  Sn11  3  0.0  0.0  0.94  1.0
  Ru  Ru12  9  0.02  0.98  0.45  1.0
  Ru  Ru13  9  0.04  0.02  0.43  1.0
  Ru  Ru14  3  0.0  0.0  0.41  1.0
  Ru  Ru15  3  0.0  0.0  0.47  1.0

La La La La La La Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Ru Ru Ru Ru Ru Ru Ru Ru
La La La La La La Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Ru Ru Ru Ru Ru Ru Ru Ru 0 12 o o - 0 10 o o - 0 3 o o o 0 28 + o - 1 15 o - o 1 11 o - o 1 4 o o o 1 27 o - + 2 9 - o o 2 17 - o o 2 5 o o o 2 19 - + o 3 7 o o - 3 14 o o - 3 21 + o - 4 8 o - o 4 13 o - o 4 20 o - + 5 16 - o o 5 6 - o o 5 24 - + o 6 16 o o o 6 22 o + o 6 24 o + o 7 14 o o o 7 29 + o o 8 13 o o o 8 25 o o + 9 17 o o o 9 26 o + o 10 12 o o o 10 18 + o o 10 28 + o o 11 15 o o o 11 23 o o + 11 27 o o + 12 18 + o o 13 20 o o + 13 25 o o + 14 21 + o o 14 29 + o o 15 23 o o + 16 22 o + o 17 19 o + o 17 26 o + o 18 28 o o o 19 26 o o o 20 25 o o o 21 29 o o o 22 24 o o o 23 27 o o o 30 31 + + + 32 39 o o o 32 37 o o o 32 35 o o o 33 34 o o o 33 36 o o o 33 38 o o o 34 39 o o o 34 37 o o o 35 36 o o o 35 38 o o o 36 39 o o o 37 38 o o o 