data_Re3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   145.16
_cell_angle_beta   130.52
_cell_angle_gamma   61.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Sn
_chemical_formula_sum   'Re3 Sn1'
_cell_volume   64.32
_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  0.22  0.3  1.0
  Re  Re1  1  0.0  0.0  0.55  1.0
  Re  Re2  1  0.59  0.0  0.25  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_Re3Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.44
_cell_length_c   5.31
_cell_angle_alpha   114.74
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Sn
_chemical_formula_sum   'Re3 Sn1'
_cell_volume   64.32
_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  0.34  0.75  0.34  1.0
  Re  Re1  1  0.45  0.45  0.45  1.0
  Re  Re2  1  0.7  0.92  0.92  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

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