data_SnRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnRu3
_chemical_formula_sum   'Sn4 Ru12'
_cell_volume   246.93
_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
  Sn  Sn12  1  0.0  0.0  0.52  1.0
  Sn  Sn13  1  0.0  0.0  0.0  1.0
  Sn  Sn14  1  0.81  0.62  0.77  1.0
  Sn  Sn15  1  0.0  0.24  0.26  1.0
  Ru  Ru0  1  0.6  0.43  0.52  1.0
  Ru  Ru1  1  0.6  0.43  0.0  1.0
  Ru  Ru2  1  0.4  0.43  0.52  1.0
  Ru  Ru3  1  0.81  0.0  0.52  1.0
  Ru  Ru4  1  0.81  0.0  0.0  1.0
  Ru  Ru5  1  0.4  0.43  0.0  1.0
  Ru  Ru6  1  0.41  0.06  0.77  1.0
  Ru  Ru7  1  0.4  0.81  0.26  1.0
  Ru  Ru8  1  0.59  0.06  0.77  1.0
  Ru  Ru9  1  0.0  0.62  0.77  1.0
  Ru  Ru10  1  0.81  0.25  0.26  1.0
  Ru  Ru11  1  0.22  0.81  0.26  1.0

data_SnRu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnRu3
_chemical_formula_sum   'Sn4 Ru12'
_cell_volume   246.93
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.52  1.0
  Sn  Sn2  1  0.0  0.24  0.26  1.0
  Sn  Sn3  1  0.81  0.62  0.77  1.0
  Ru  Ru4  1  0.0  0.62  0.77  1.0
  Ru  Ru5  1  0.22  0.81  0.26  1.0
  Ru  Ru6  1  0.4  0.81  0.26  1.0
  Ru  Ru7  1  0.4  0.43  -0.0  1.0
  Ru  Ru8  1  0.4  0.43  0.52  1.0
  Ru  Ru9  1  0.41  0.06  0.77  1.0
  Ru  Ru10  1  0.59  0.06  0.77  1.0
  Ru  Ru11  1  0.6  0.43  -0.0  1.0
  Ru  Ru12  1  0.6  0.43  0.52  1.0
  Ru  Ru13  1  0.81  0.0  0.0  1.0
  Ru  Ru14  1  0.81  0.0  0.52  1.0
  Ru  Ru15  1  0.81  0.25  0.26  1.0

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