data_[Li4La2Tl4]
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 [P2_1/m]
_cell_length_a [5.4063]
_cell_length_b [5.1207]
_cell_length_c [9.4088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li2LaTl2]
_chemical_formula_sum '[Li4 La2 Tl4]'
_cell_volume [255.2650]
_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  2  0.3173  0.2500  0.6687  1.0
  Li  Li1  2  0.3683  0.7500  0.9856  1.0
  La  La2  2  0.1987  0.2500  0.2797  1.0
  Tl  Tl3  2  0.0988  0.2500  0.9095  1.0
  Tl  Tl4  2  0.2305  0.7500  0.5106  1.0
]