data_[La24Nd4Tl8]
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 [16.4246]
_cell_length_b [12.0896]
_cell_length_c [6.1055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La6NdTl2]
_chemical_formula_sum '[La24 Nd4 Tl8]'
_cell_volume [1196.5933]
_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  0.0566  0.3858  0.5412  1.0
  La  La1  8  0.1168  0.1101  0.8018  1.0
  La  La2  8  0.2406  0.1230  0.3375  1.0
  Nd  Nd3  4  0.0000  0.1495  0.2500  1.0
  Tl  Tl4  8  0.1552  0.3614  0.1039  1.0
]