data_[Na2Mg12Al2]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1543]
_cell_length_b [6.4256]
_cell_length_c [11.0961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaMg6Al]
_chemical_formula_sum '[Na2 Mg12 Al2]'
_cell_volume [367.4957]
_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  0.3318  1.0
  Mg  Mg1  4  0.0000  0.2462  0.9172  1.0
  Mg  Mg2  4  0.5000  0.2441  0.0845  1.0
  Mg  Mg3  2  0.0000  0.0000  0.6670  1.0
  Mg  Mg4  2  0.5000  0.0000  0.8345  1.0
  Al  Al5  2  0.0000  0.0000  0.1634  1.0
]