data_[Na4Mg8Tl4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4775]
_cell_length_b [13.2644]
_cell_length_c [6.9780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMg2TlCl6]
_chemical_formula_sum '[Na4 Mg8 Tl4 Cl24]'
_cell_volume [1232.5664]
_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  0.2794  0.7500  1.0
  Mg  Mg1  8  0.1969  0.4148  0.2832  1.0
  Tl  Tl2  4  0.0000  0.0980  0.2500  1.0
  Cl  Cl3  8  0.1138  0.2830  0.1092  1.0
  Cl  Cl4  8  0.1290  0.1077  0.6746  1.0
  Cl  Cl5  8  0.1479  0.4333  0.6007  1.0
]