data_Sn4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77
_cell_length_b   8.77
_cell_length_c   8.77
_cell_angle_alpha   154.41
_cell_angle_beta   154.41
_cell_angle_gamma   36.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4Ru
_chemical_formula_sum   'Sn4 Ru1'
_cell_volume   125.8
_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
  Sn  Sn1  1  0.94  0.0  0.17  1.0
  Sn  Sn2  1  0.0  0.94  0.17  1.0
  Sn  Sn3  1  0.0  0.0  0.75  1.0
  Sn  Sn4  1  0.0  0.0  0.92  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Sn4Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   108.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn4Ru
_chemical_formula_sum   'Sn8 Ru2'
_cell_volume   251.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.47  0.47  0.78  1.0
  Sn  Sn1  2  0.0  0.0  0.08  1.0
  Sn  Sn2  2  0.0  0.0  0.25  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Sn Sn Sn Sn Ru
Sn Sn Sn Sn Ru 0 1 + - o 2 3 o o o 3 4 o o + 