data_[Mg8Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.0860]
_cell_length_b [6.1309]
_cell_length_c [11.1081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [MgTl]
_chemical_formula_sum '[Mg8 Tl8]'
_cell_volume [414.4686]
_cell_formula_units_Z [8]
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  0.1529  0.9912  0.8094  1.0
  Mg  Mg1  4  0.1823  0.3178  0.0532  1.0
  Tl  Tl2  4  0.1501  0.5164  0.3033  1.0
  Tl  Tl3  4  0.1585  0.1718  0.5514  1.0
]