data_[Na10Mg2Tl16]
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 [9.0844]
_cell_length_b [9.0844]
_cell_length_c [10.1191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Na5MgTl8]
_chemical_formula_sum '[Na10 Mg2 Tl16]'
_cell_volume [835.0988]
_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  8  0.1274  0.2783  0.1804  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  2  0.0000  0.5000  0.7500  1.0
  Tl  Tl3  8  0.0772  0.1793  0.8592  1.0
  Tl  Tl4  8  0.0848  0.3377  0.4996  1.0
]