data_[Na2Mg10Tl16]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.9668]
_cell_length_b [8.9668]
_cell_length_c [9.5396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [NaMg5Tl8]
_chemical_formula_sum '[Na2 Mg10 Tl16]'
_cell_volume [767.0091]
_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  0.0000  0.5000  0.2500  1.0
  Mg  Mg1  8  0.1273  0.2149  0.9148  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl3  8  0.0701  0.3308  0.5833  1.0
  Tl  Tl4  8  0.0913  0.1675  0.2380  1.0
]