data_[Na2Li2Mg28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.3481]
_cell_length_b [6.4103]
_cell_length_c [11.2005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaLiMg14]
_chemical_formula_sum '[Na2 Li2 Mg28]'
_cell_volume [742.9775]
_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  0.6669  1.0
  Li  Li1  2  0.5000  0.0000  0.1670  1.0
  Mg  Mg2  8  0.2462  0.2472  0.0829  1.0
  Mg  Mg3  4  0.0000  0.2498  0.9170  1.0
  Mg  Mg4  4  0.2461  0.0000  0.8348  1.0
  Mg  Mg5  4  0.2516  0.0000  0.3329  1.0
  Mg  Mg6  4  0.5000  0.2499  0.9162  1.0
  Mg  Mg7  2  0.0000  0.0000  0.1663  1.0
  Mg  Mg8  2  0.0000  0.0000  0.6665  1.0
]