data_NaAl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   132.73
_cell_angle_beta   132.73
_cell_angle_gamma   69.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Zn
_chemical_formula_sum   'Na1 Al2 Zn1'
_cell_volume   76.36
_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  Na2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.1  0.16  1.0
  Al  Al1  1  0.1  0.0  0.16  1.0
  Zn  Zn3  1  0.0  0.0  0.32  1.0

data_NaAl2Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   124.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaAl2Zn
_chemical_formula_sum   'Na2 Al4 Zn2'
_cell_volume   152.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Al  Al1  4  0.39  0.45  0.94  1.0
  Zn  Zn2  2  0.18  0.5  0.68  1.0

Na Al Al Zn