data_[Li8Mg12Tl4]
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 [14.2186]
_cell_length_b [4.6673]
_cell_length_c [8.8931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Mg3Tl]
_chemical_formula_sum '[Li8 Mg12 Tl4]'
_cell_volume [512.5568]
_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  0.0395  0.5000  0.8867  1.0
  Li  Li1  4  0.2188  0.0000  0.8855  1.0
  Mg  Mg2  4  0.0377  0.0000  0.3610  1.0
  Mg  Mg3  4  0.1227  0.5000  0.6330  1.0
  Mg  Mg4  4  0.2042  0.5000  0.3655  1.0
  Tl  Tl5  4  0.1310  0.0000  0.1111  1.0
]