data_Re3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   9.22
_cell_length_c   9.22
_cell_angle_alpha   18.08
_cell_angle_beta   18.08
_cell_angle_gamma   18.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re3Sn
_chemical_formula_sum   'Re3 Sn1'
_cell_volume   65.88
_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  0.54  1.0
  Re  Re1  1  0.0  0.0  0.6  1.0
  Re  Re2  1  0.0  0.0  0.66  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_Re3Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   2.9
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   100.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re3Sn
_chemical_formula_sum   'Re6 Sn2'
_cell_volume   131.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.34  1.0
  Re  Re1  2  0.0  0.0  0.4  1.0
  Re  Re2  2  0.0  0.0  0.46  1.0
  Sn  Sn3  2  0.0  0.0  0.0  1.0

Re Re Re Sn