data_[La12Nd16Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5309]
_cell_length_b [13.8871]
_cell_length_c [6.6136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3(Nd2Tl)2]
_chemical_formula_sum '[La12 Nd16 Tl8]'
_cell_volume [1235.8905]
_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  8  0.1100  0.0657  0.5894  1
  La  La1  4  0.0000  0.4693  0.2500  1
  Nd  Nd2  8  0.1062  0.2156  0.0765  1
  Nd  Nd3  8  0.1539  0.3284  0.5804  1
  Tl  Tl4  8  0.2063  0.4274  0.0417  1
]