data_[Na2Mg12Zn2]
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 [Amm2]
_cell_length_a [5.1816]
_cell_length_b [6.3461]
_cell_length_c [11.0559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaMg6Zn]
_chemical_formula_sum '[Na2 Mg12 Zn2]'
_cell_volume [363.5486]
_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  0.5000  0.0000  0.6668  1.0
  Mg  Mg1  4  0.0000  0.2451  0.0840  1.0
  Mg  Mg2  4  0.5000  0.2488  0.9166  1.0
  Mg  Mg3  2  0.0000  0.0000  0.3316  1.0
  Mg  Mg4  2  0.0000  0.0000  0.8345  1.0
  Zn  Zn5  2  0.5000  0.0000  0.1658  1.0
]