data_[La2Sm10Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.4222]
_cell_length_b [9.4222]
_cell_length_c [9.5698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LaSm5Tl8]
_chemical_formula_sum '[La2 Sm10 Tl16]'
_cell_volume [849.5876]
_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
[
  La  La0  2  0.0000  0.5000  0.7500  1
  Sm  Sm1  8  0.1300  0.2513  0.1214  1
  Sm  Sm2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  8  0.0813  0.1601  0.7940  1
  Tl  Tl4  8  0.0857  0.3323  0.4496  1
]