data_AlRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.34
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRe2Sn
_chemical_formula_sum   'Al1 Re2 Sn1'
_cell_volume   66.34
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.17  0.46  1.0
  Re  Re2  1  0.55  0.17  0.0  1.0
  Sn  Sn3  1  0.55  0.0  0.46  1.0

data_AlRe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.34
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRe2Sn
_chemical_formula_sum   'Al1 Re2 Sn1'
_cell_volume   66.34
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.17  0.46  1.0
  Re  Re2  1  0.55  0.17  0.0  1.0
  Sn  Sn3  1  0.55  0.0  0.46  1.0

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