data_[Na24Mg4Br32]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.9875]
_cell_length_b [11.9875]
_cell_length_c [11.9875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Na6MgBr8]
_chemical_formula_sum '[Na24 Mg4 Br32]'
_cell_volume [1722.5944]
_cell_formula_units_Z [4]
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  24  0.0000  0.2500  0.2500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0000  1.0
  Br  Br2  24  0.0000  0.0000  0.2280  1.0
  Br  Br3  8  0.2500  0.2500  0.2500  1.0
]