data_[Mg20Tl8]
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 [C2/c]
_cell_length_a [14.6634]
_cell_length_b [5.5060]
_cell_length_c [8.3700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg5Tl2]
_chemical_formula_sum '[Mg20 Tl8]'
_cell_volume [672.8400]
_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
[
  Mg  Mg0  8  0.1447  0.1760  0.4638  1.0
  Mg  Mg1  8  0.2142  0.3341  0.8163  1.0
  Mg  Mg2  4  0.0000  0.1878  0.7500  1.0
  Tl  Tl3  8  0.0793  0.3110  0.1048  1.0
]