data_SnBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBRu2
_chemical_formula_sum   'Sn1 B1 Ru2'
_cell_volume   55.15
_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  Sn3  1  0.0  0.0  0.29  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.85  0.0  0.28  1.0
  Ru  Ru2  1  0.85  0.0  0.31  1.0

data_SnBRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBRu2
_chemical_formula_sum   'Sn1 B1 Ru2'
_cell_volume   55.15
_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  Sn0  1  0.0  0.0  0.29  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.85  0.0  0.28  1.0
  Ru  Ru3  1  0.85  0.0  0.31  1.0

Sn B Ru Ru
Sn B Ru Ru 0 2 - o o 0 3 - o o 0 1 o o o 1 3 - o o 1 2 - o o 2 3 o o o 