data_[Mg16Tl2Pb4]
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 [16.5739]
_cell_length_b [4.5629]
_cell_length_c [7.3514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8TlPb2]
_chemical_formula_sum '[Mg16 Tl2 Pb4]'
_cell_volume [534.6860]
_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  0.0408  0.0000  0.7264  1
  Mg  Mg1  4  0.0891  0.5000  0.4556  1
  Mg  Mg2  4  0.1384  0.0000  0.1848  1
  Mg  Mg3  4  0.1776  0.5000  0.9128  1
  Tl  Tl4  2  0.0000  0.5000  0.0000  1
  Pb  Pb5  4  0.2208  0.0000  0.6545  1
]