data_[Mg2Tl8Pb6]
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 [23.2072]
_cell_length_b [3.4826]
_cell_length_c [6.0047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgTl4Pb3]
_chemical_formula_sum '[Mg2 Tl8 Pb6]'
_cell_volume [484.8110]
_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  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  4  0.1244  0.5000  0.3778  1.0
  Tl  Tl2  4  0.2462  0.5000  0.7515  1.0
  Pb  Pb3  4  0.1162  0.0000  0.8836  1.0
  Pb  Pb4  2  0.0000  0.0000  0.5000  1.0
]