data_[Na2Mg2Zn22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4471]
_cell_length_b [12.4993]
_cell_length_c [6.9669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaMgZn11]
_chemical_formula_sum '[Na2 Mg2 Zn22]'
_cell_volume [436.9721]
_cell_formula_units_Z [2]
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  0.0000  0.0000  1
  Mg  Mg1  2  0.0000  0.5000  0.5000  1
  Zn  Zn2  8  0.1194  0.6092  0.2136  1
  Zn  Zn3  8  0.1484  0.1814  0.3488  1
  Zn  Zn4  4  0.2500  0.2500  0.0000  1
  Zn  Zn5  2  0.0000  0.0000  0.5000  1
]