data_[Na4Mg12Tl24]
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 [Cmc2_1]
_cell_length_a [9.6798]
_cell_length_b [14.5139]
_cell_length_c [8.0237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na(MgTl2)3]
_chemical_formula_sum '[Na4 Mg12 Tl24]'
_cell_volume [1127.2686]
_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  4  0.0000  0.1745  0.4607  1.0
  Mg  Mg1  8  0.1712  0.1247  0.0748  1.0
  Mg  Mg2  4  0.0000  0.4026  0.5538  1.0
  Tl  Tl3  8  0.1818  0.3225  0.2289  1.0
  Tl  Tl4  8  0.1878  0.4551  0.8914  1.0
  Tl  Tl5  4  0.0000  0.0276  0.7562  1.0
  Tl  Tl6  4  0.0000  0.2653  0.8537  1.0
]