data_[Li4Mg8Tl8]
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
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0497]
_cell_length_b [16.3595]
_cell_length_c [5.7019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li(MgTl)2]
_chemical_formula_sum '[Li4 Mg8 Tl8]'
_cell_volume [471.0394]
_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  0.3574  0.4906  1.0
  Mg  Mg1  4  0.0000  0.0436  0.1471  1.0
  Mg  Mg2  4  0.0000  0.1550  0.6328  1.0
  Tl  Tl3  4  0.0000  0.2336  0.1225  1.0
  Tl  Tl4  4  0.0000  0.4424  0.9727  1.0
]