data_NaAlZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlZn2
_chemical_formula_sum   'Na1 Al1 Zn2'
_cell_volume   73.34
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.05  0.0  0.0  1.0
  Zn  Zn2  1  0.52  0.08  0.45  1.0
  Zn  Zn3  1  0.52  0.92  0.45  1.0

data_NaAlZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   107.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlZn2
_chemical_formula_sum   'Na1 Al1 Zn2'
_cell_volume   73.34
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.05  0.0  1.0
  Zn  Zn2  1  0.45  0.52  0.08  1.0
  Zn  Zn3  1  0.45  0.52  0.92  1.0

Na Al Zn Zn