data_[Li3Mg18Tl24]
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 [R-3]
_cell_length_a [8.9215]
_cell_length_b [8.9215]
_cell_length_c [17.7777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li(Mg3Tl4)2]
_chemical_formula_sum '[Li3 Mg18 Tl24]'
_cell_volume [1225.4037]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Mg  Mg1  18  0.0030  0.3221  0.3709  1
  Tl  Tl2  18  0.0255  0.7642  0.1297  1
  Tl  Tl3  6  0.0000  0.0000  0.2950  1
]