data_[Na10Mg2]
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 [C2]
_cell_length_a [10.6960]
_cell_length_b [6.1448]
_cell_length_c [7.4322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na5Mg]
_chemical_formula_sum '[Na10 Mg2]'
_cell_volume [401.0876]
_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  4  0.1640  0.3342  0.4913  1.0
  Na  Na1  4  0.1738  0.5061  0.9999  1.0
  Na  Na2  2  0.0000  0.9897  0.0000  1.0
  Mg  Mg3  2  0.0000  0.8345  0.5000  1.0
]