data_[Mg16Al2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3505]
_cell_length_b [4.4912]
_cell_length_c [7.1623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8AlTl2]
_chemical_formula_sum '[Mg16 Al2 Tl4]'
_cell_volume [502.2752]
_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
[
  Mg  Mg0  4  0.0397  0.0000  0.7376  1.0
  Mg  Mg1  4  0.0887  0.5000  0.4464  1.0
  Mg  Mg2  4  0.1367  0.0000  0.1819  1.0
  Mg  Mg3  4  0.1747  0.5000  0.9149  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl5  4  0.2173  0.0000  0.6512  1.0
]