data_Na2AlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.84
_cell_angle_alpha   100.91
_cell_angle_beta   100.91
_cell_angle_gamma   33.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlSn
_chemical_formula_sum   'Na2 Al1 Sn1'
_cell_volume   102.58
_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  0.16  0.0  0.1  1.0
  Na  Na2  1  0.74  0.0  0.23  1.0
  Al  Al0  1  0.14  0.0  0.44  1.0
  Sn  Sn3  1  0.68  0.0  0.82  1.0

data_Na2AlSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.72
_cell_length_c   5.84
_cell_angle_alpha   100.91
_cell_angle_beta   90.0
_cell_angle_gamma   106.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlSn
_chemical_formula_sum   'Na2 Al1 Sn1'
_cell_volume   102.58
_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  0.0  0.26  0.77  1.0
  Na  Na1  1  0.0  0.84  0.9  1.0
  Al  Al2  1  0.0  0.86  0.56  1.0
  Sn  Sn3  1  0.0  0.32  0.18  1.0

Na Na Al Sn
Na Na Al Sn 0 2 o o o 0 1 - o o 1 3 o o - 1 2 + o o 