data_ReSiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.81
_cell_angle_alpha   95.3
_cell_angle_beta   95.3
_cell_angle_gamma   38.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiSn2
_chemical_formula_sum   'Re1 Si1 Sn2'
_cell_volume   76.2
_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  0.51  0.0  0.39  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.85  0.0  0.53  1.0
  Sn  Sn3  1  0.17  0.0  0.25  1.0

data_ReSiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.81
_cell_length_c   5.03
_cell_angle_alpha   95.3
_cell_angle_beta   109.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiSn2
_chemical_formula_sum   'Re1 Si1 Sn2'
_cell_volume   76.2
_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  0.39  0.51  1.0
  Sn  Sn2  1  0.0  0.25  0.17  1.0
  Sn  Sn3  1  0.0  0.53  0.85  1.0

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