data_[Li4La12Tl12]
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 [C2/m]
_cell_length_a [11.6891]
_cell_length_b [4.8619]
_cell_length_c [16.0991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(LaTl)3]
_chemical_formula_sum '[Li4 La12 Tl12]'
_cell_volume [860.2196]
_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  0.2415  0.0000  0.4045  1
  La  La1  4  0.0385  0.5000  0.3861  1
  La  La2  4  0.0918  0.5000  0.9185  1
  La  La3  4  0.2404  0.5000  0.2263  1
  Tl  Tl4  4  0.0333  0.0000  0.2387  1
  Tl  Tl5  4  0.1245  0.0000  0.0745  1
  Tl  Tl6  4  0.1365  0.0000  0.5533  1
]