data_[Na13Mg2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5271]
_cell_length_b [8.5812]
_cell_length_c [8.7521]
_cell_angle_alpha [68.8804]
_cell_angle_beta [74.7402]
_cell_angle_gamma [84.3586]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na13Mg2]
_chemical_formula_sum '[Na13 Mg2]'
_cell_volume [508.7396]
_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  2  0.1344  0.4691  0.7880  1.0
  Na  Na1  2  0.1935  0.1972  0.2036  1.0
  Na  Na2  2  0.2538  0.9379  0.5923  1.0
  Na  Na3  2  0.3276  0.6706  0.0030  1.0
  Na  Na4  2  0.3888  0.4011  0.4017  1.0
  Na  Na5  2  0.4839  0.1359  0.7897  1.0
  Na  Na6  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg7  2  0.0613  0.7182  0.4059  1.0
]