data_[La20Tl8In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.9277]
_cell_length_b [8.5844]
_cell_length_c [8.3925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La5(TlIn)2]
_chemical_formula_sum '[La20 Tl8 In8]'
_cell_volume [1219.5548]
_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
[
  La  La0  16  0.1394  0.1870  0.6737  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.2127  0.0000  0.0000  1.0
  In  In3  8  0.0000  0.1208  0.3796  1.0
]