data_Re2SnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.37
_cell_angle_alpha   115.69
_cell_angle_beta   115.69
_cell_angle_gamma   41.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2SnB
_chemical_formula_sum   'Re2 Sn1 B1'
_cell_volume   59.79
_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
  Re  Re1  1  0.49  0.0  0.08  1.0
  Re  Re2  1  0.52  0.0  0.89  1.0
  Sn  Sn3  1  0.21  0.0  0.43  1.0
  B  B0  1  0.87  0.0  0.48  1.0

data_Re2SnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.35
_cell_length_c   5.24
_cell_angle_alpha   67.32
_cell_angle_beta   72.82
_cell_angle_gamma   69.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2SnB
_chemical_formula_sum   'Re2 Sn1 B1'
_cell_volume   59.79
_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
  Re  Re0  1  0.0  0.41  0.08  1.0
  Re  Re1  1  0.0  0.63  0.89  1.0
  Sn  Sn2  1  0.0  0.78  0.43  1.0
  B  B3  1  0.0  0.39  0.48  1.0

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