data_[Li4Mg8Tl20Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmc2_1]
_cell_length_a [4.9062]
_cell_length_b [15.8519]
_cell_length_c [12.8070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiMg2Tl5Pb]
_chemical_formula_sum '[Li4 Mg8 Tl20 Pb4]'
_cell_volume [996.0221]
_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
[
  Li  Li0  4  0.0000  0.2372  0.9275  1.0
  Mg  Mg1  4  0.0000  0.0756  0.4298  1.0
  Mg  Mg2  4  0.0000  0.0806  0.7486  1.0
  Tl  Tl3  4  0.0000  0.0825  0.0944  1.0
  Tl  Tl4  4  0.0000  0.2425  0.5816  1.0
  Tl  Tl5  4  0.0000  0.2468  0.2679  1.0
  Tl  Tl6  4  0.0000  0.4071  0.7744  1.0
  Tl  Tl7  4  0.0000  0.4171  0.0868  1.0
  Pb  Pb8  4  0.0000  0.4153  0.4129  1.0
]