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 [Cm]
_cell_length_a [13.4666]
_cell_length_b [3.8408]
_cell_length_c [8.1501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na5Mg]
_chemical_formula_sum '[Na10 Mg2]'
_cell_volume [405.9861]
_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  0.0035  0.0000  0.9738  1.0
  Na  Na1  2  0.1616  0.5000  0.3318  1.0
  Na  Na2  2  0.2803  0.0000  0.0533  1.0
  Na  Na3  2  0.3231  0.0000  0.6639  1.0
  Na  Na4  2  0.4538  0.5000  0.4166  1.0
  Mg  Mg5  2  0.1178  0.5000  0.7274  1.0
]