data_[Li4La6Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8305]
_cell_length_b [4.8305]
_cell_length_c [26.4981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Li2(LaTl2)3]
_chemical_formula_sum '[Li4 La6 Tl12]'
_cell_volume [618.3126]
_cell_formula_units_Z [2]
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  0.0000  0.4514  1.0
  La  La1  4  0.0000  0.0000  0.1927  1.0
  La  La2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  8  0.0000  0.5000  0.0966  1.0
  Tl  Tl4  4  0.0000  0.0000  0.3167  1.0
]