data_Sn5Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Ru4
_chemical_formula_sum   'Sn10 Ru8'
_cell_volume   331.3
_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
  Sn  Sn8  1  0.91  0.05  0.44  1.0
  Sn  Sn9  1  0.21  0.0  0.44  1.0
  Sn  Sn10  1  0.9  0.91  0.44  1.0
  Sn  Sn11  1  0.1  0.91  0.48  1.0
  Sn  Sn12  1  0.83  0.0  0.48  1.0
  Sn  Sn13  1  0.09  0.05  0.48  1.0
  Sn  Sn14  1  0.0  0.64  0.96  1.0
  Sn  Sn15  1  0.02  0.32  0.0  1.0
  Sn  Sn16  1  0.02  0.32  0.96  1.0
  Sn  Sn17  1  0.0  0.64  0.0  1.0
  Ru  Ru0  1  0.0  0.0  0.96  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.61  0.78  0.44  1.0
  Ru  Ru3  1  0.82  0.0  0.44  1.0
  Ru  Ru4  1  0.59  0.18  0.44  1.0
  Ru  Ru5  1  0.41  0.18  0.48  1.0
  Ru  Ru6  1  0.21  0.0  0.48  1.0
  Ru  Ru7  1  0.39  0.78  0.48  1.0

data_Sn5Ru4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.93
_cell_length_b   8.04
_cell_length_c   8.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn5Ru4
_chemical_formula_sum   'Sn10 Ru8'
_cell_volume   331.3
_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
  Sn  Sn0  1  -0.0  0.02  0.32  1.0
  Sn  Sn1  1  0.0  0.0  0.64  1.0
  Sn  Sn2  1  0.44  0.21  0.0  1.0
  Sn  Sn3  1  0.44  0.9  0.91  1.0
  Sn  Sn4  1  0.44  0.91  0.05  1.0
  Sn  Sn5  1  0.48  0.09  0.05  1.0
  Sn  Sn6  1  0.48  0.1  0.91  1.0
  Sn  Sn7  1  0.48  0.83  0.0  1.0
  Sn  Sn8  1  0.96  0.0  0.64  1.0
  Sn  Sn9  1  0.96  0.02  0.32  1.0
  Ru  Ru10  1  0.0  0.0  0.0  1.0
  Ru  Ru11  1  0.44  0.59  0.18  1.0
  Ru  Ru12  1  0.44  0.61  0.78  1.0
  Ru  Ru13  1  0.44  0.82  0.0  1.0
  Ru  Ru14  1  0.48  0.21  0.0  1.0
  Ru  Ru15  1  0.48  0.39  0.78  1.0
  Ru  Ru16  1  0.48  0.41  0.18  1.0
  Ru  Ru17  1  0.96  0.0  0.0  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Ru Ru Ru Ru Ru Ru Ru Ru