data_[Mg2Al2Tl4]
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 [Cm]
_cell_length_a [11.1629]
_cell_length_b [3.3754]
_cell_length_c [5.5214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgAlTl2]
_chemical_formula_sum '[Mg2 Al2 Tl4]'
_cell_volume [197.3272]
_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  2  0.2309  0.0000  0.7806  1
  Al  Al1  2  0.0146  0.5000  0.4605  1
  Tl  Tl2  2  0.2661  0.5000  0.3066  1
  Tl  Tl3  2  0.4885  0.5000  0.9524  1
]