data_SbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.77
_cell_length_b   12.77
_cell_length_c   12.77
_cell_angle_alpha   162.14
_cell_angle_beta   162.14
_cell_angle_gamma   25.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbRu2
_chemical_formula_sum   'Sb4 Ru8'
_cell_volume   195.73
_cell_formula_units_Z   4
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
  Sb  Sb8  1  0.0  0.98  0.38  1.0
  Sb  Sb9  1  0.0  0.98  0.08  1.0
  Sb  Sb10  1  0.0  0.0  0.07  1.0
  Sb  Sb11  1  0.0  0.0  0.85  1.0
  Ru  Ru0  1  0.0  0.98  0.06  1.0
  Ru  Ru1  1  0.0  0.98  0.4  1.0
  Ru  Ru2  1  0.0  0.0  0.74  1.0
  Ru  Ru3  1  0.0  0.0  0.17  1.0
  Ru  Ru4  1  0.98  0.0  0.33  1.0
  Ru  Ru5  1  0.98  0.0  0.13  1.0
  Ru  Ru6  1  0.0  0.0  0.56  1.0
  Ru  Ru7  1  0.0  0.0  0.36  1.0

data_SbRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   12.77
_cell_angle_alpha   98.93
_cell_angle_beta   98.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbRu2
_chemical_formula_sum   'Sb4 Ru8'
_cell_volume   195.73
_cell_formula_units_Z   4
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
  Sb  Sb0  1  0.15  0.0  0.15  1.0
  Sb  Sb1  1  0.6  0.98  0.6  1.0
  Sb  Sb2  1  0.9  0.98  0.9  1.0
  Sb  Sb3  1  0.93  0.0  0.93  1.0
  Ru  Ru4  1  0.26  0.0  0.26  1.0
  Ru  Ru5  1  0.44  0.0  0.44  1.0
  Ru  Ru6  1  0.58  0.98  0.58  1.0
  Ru  Ru7  1  0.64  0.0  0.64  1.0
  Ru  Ru8  1  0.67  0.0  0.65  1.0
  Ru  Ru9  1  0.83  0.0  0.83  1.0
  Ru  Ru10  1  0.87  0.0  0.85  1.0
  Ru  Ru11  1  0.93  0.98  0.93  1.0

Sb Sb Sb Sb Ru Ru Ru Ru Ru Ru Ru Ru
Sb Sb Sb Sb Ru Ru Ru Ru Ru Ru Ru Ru 0 5 o o o 0 10 o + o 1 4 o o o 2 4 o - o 3 6 o o o 5 10 o + o 7 9 - o o 8 11 + o o 