data_[Mg8Tl4Pb6]
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/m]
_cell_length_a [9.6946]
_cell_length_b [4.9106]
_cell_length_c [10.2164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg4Tl2Pb3]
_chemical_formula_sum '[Mg8 Tl4 Pb6]'
_cell_volume [483.3476]
_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  0.0041  0.0000  0.3250  1.0
  Mg  Mg1  4  0.1616  0.5000  0.8930  1.0
  Tl  Tl2  4  0.1730  0.5000  0.2152  1.0
  Pb  Pb3  4  0.1624  0.5000  0.5705  1.0
  Pb  Pb4  2  0.0000  0.0000  0.0000  1.0
]