data_[Na1Mg14Al1]
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 [P-6m2]
_cell_length_a [6.3439]
_cell_length_b [6.3439]
_cell_length_c [10.4609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [NaMg14Al]
_chemical_formula_sum '[Na1 Mg14 Al1]'
_cell_volume [364.6034]
_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  1  0.0000  0.0000  0.5000  1
  Mg  Mg1  6  0.1666  0.3332  0.2438  1
  Mg  Mg2  3  0.0040  0.5020  0.5000  1
  Mg  Mg3  3  0.5009  0.0018  0.0000  1
  Mg  Mg4  2  0.6667  0.3333  0.2529  1
  Al  Al5  1  0.0000  0.0000  0.0000  1
]