data_[Li4Mg12Tl8]
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 [C2/m]
_cell_length_a [16.2527]
_cell_length_b [4.4264]
_cell_length_c [9.2644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMg3Tl2]
_chemical_formula_sum '[Li4 Mg12 Tl8]'
_cell_volume [558.2791]
_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  0.0815  0.0000  0.2021  1.0
  Mg  Mg1  4  0.0806  0.0000  0.7005  1.0
  Mg  Mg2  4  0.0905  0.5000  0.4680  1.0
  Mg  Mg3  4  0.2414  0.0000  0.1129  1.0
  Tl  Tl4  4  0.0732  0.5000  0.9265  1.0
  Tl  Tl5  4  0.2433  0.5000  0.3567  1.0
]