data_[Na4Al2Zn1Cu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.8056]
_cell_length_b [4.8056]
_cell_length_c [6.8168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Na4Al2ZnCu]
_chemical_formula_sum '[Na4 Al2 Zn1 Cu1]'
_cell_volume [157.4248]
_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  2  0.0000  0.5000  0.7541  1
  Na  Na1  1  0.0000  0.0000  0.0000  1
  Na  Na2  1  0.5000  0.5000  0.5000  1
  Al  Al3  2  0.0000  0.5000  0.2416  1
  Zn  Zn4  1  0.0000  0.0000  0.5000  1
  Cu  Cu5  1  0.5000  0.5000  0.0000  1
]