data_[Mg20Tl4Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5044]
_cell_length_b [11.6470]
_cell_length_c [6.2304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg5TlPb]
_chemical_formula_sum '[Mg20 Tl4 Pb4]'
_cell_volume [712.7683]
_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  0.0175  0.1321  0.0131  1
  Mg  Mg1  8  0.2456  0.0163  0.8697  1
  Mg  Mg2  4  0.0000  0.3822  0.2500  1
  Tl  Tl3  4  0.2500  0.2500  0.5000  1
  Pb  Pb4  4  0.0000  0.3578  0.7500  1
]