data_ReSiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiSn2
_chemical_formula_sum   'Re1 Si1 Sn2'
_cell_volume   74.95
_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  0.9  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.45  0.96  0.65  1.0
  Sn  Sn3  1  0.45  0.04  0.65  1.0

data_ReSiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   106.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiSn2
_chemical_formula_sum   'Re1 Si1 Sn2'
_cell_volume   74.95
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.9  0.0  1.0
  Sn  Sn2  1  0.65  0.45  0.04  1.0
  Sn  Sn3  1  0.65  0.45  0.96  1.0

Re Si Sn Sn
Re Si Sn Sn 0 1 + o o 2 3 o + o 