data_Na2AlRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   5.48
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   92.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlRe
_chemical_formula_sum   'Na2 Al1 Re1'
_cell_volume   71.83
_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
  Na  Na1  1  0.53  0.74  0.52  1.0
  Na  Na2  1  0.04  0.74  0.24  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.28  0.0  0.38  1.0

data_Na2AlRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.77
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlRe
_chemical_formula_sum   'Na2 Al1 Re1'
_cell_volume   71.83
_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
  Na  Na0  1  0.47  0.48  0.26  1.0
  Na  Na1  1  0.96  0.76  0.26  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.72  0.62  0.0  1.0

Na Na Al Re
Na Na Al Re 0 3 o + o 0 1 o o o 0 1 + o o 1 2 o + o 1 3 o + o 2 3 o o o 