data_ReSi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   3.29
_cell_angle_alpha   107.15
_cell_angle_beta   107.15
_cell_angle_gamma   114.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Sn
_chemical_formula_sum   'Re1 Si2 Sn1'
_cell_volume   68.54
_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  0.83  0.0  0.0  1.0
  Si  Si1  1  0.52  0.8  0.38  1.0
  Si  Si2  1  0.52  0.2  0.38  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_ReSi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.75
_cell_length_c   5.23
_cell_angle_alpha   116.14
_cell_angle_beta   107.15
_cell_angle_gamma   92.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Sn
_chemical_formula_sum   'Re1 Si2 Sn1'
_cell_volume   68.54
_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  0.0  0.83  1.0
  Si  Si1  1  0.18  0.8  0.32  1.0
  Si  Si2  1  0.58  0.2  0.72  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

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