data_AlReSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlReSn2
_chemical_formula_sum   'Al1 Re1 Sn2'
_cell_volume   76.65
_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  0.9  0.0  0.0  1.0
  Sn  Sn2  1  0.45  0.06  0.71  1.0
  Sn  Sn3  1  0.45  0.94  0.71  1.0

data_AlReSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   106.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlReSn2
_chemical_formula_sum   'Al1 Re1 Sn2'
_cell_volume   76.65
_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  0.9  0.0  1.0
  Sn  Sn2  1  0.71  0.45  0.06  1.0
  Sn  Sn3  1  0.71  0.45  0.94  1.0

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