data_[Mg2Tl4Pb2]
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 [Cm]
_cell_length_a [11.5140]
_cell_length_b [3.4721]
_cell_length_c [5.9200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgTl2Pb]
_chemical_formula_sum '[Mg2 Tl4 Pb2]'
_cell_volume [229.0823]
_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  0.4990  0.0000  0.5057  1.0
  Tl  Tl1  2  0.0008  0.0000  0.0018  1.0
  Tl  Tl2  2  0.2597  0.5000  0.2541  1.0
  Pb  Pb3  2  0.2404  0.0000  0.7384  1.0
]