data_[Mg12Tl4Pb4]
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 [15.4648]
_cell_length_b [5.3319]
_cell_length_c [6.4199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3TlPb]
_chemical_formula_sum '[Mg12 Tl4 Pb4]'
_cell_volume [507.2751]
_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  4  0.0008  0.0000  0.2545  1.0
  Mg  Mg1  4  0.1008  0.5000  0.9329  1.0
  Mg  Mg2  4  0.1973  0.0000  0.6462  1.0
  Tl  Tl3  4  0.0982  0.5000  0.4273  1.0
  Pb  Pb4  4  0.1911  0.0000  0.1388  1.0
]