data_[Mg10Tl10Pb4]
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 [8.8153]
_cell_length_b [5.1769]
_cell_length_c [15.0765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg5Tl5Pb2]
_chemical_formula_sum '[Mg10 Tl10 Pb4]'
_cell_volume [670.8766]
_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  0.1152  0.5000  0.8437  1.0
  Mg  Mg1  4  0.1432  0.0000  0.4406  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.1936  0.5000  0.0792  1.0
  Tl  Tl4  4  0.2260  0.0000  0.6624  1.0
  Tl  Tl5  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb6  4  0.0707  0.0000  0.2150  1.0
]