data_[La8Nd10Tl2]
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 [I4mm]
_cell_length_a [10.9241]
_cell_length_b [10.9241]
_cell_length_c [6.1295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [La4Nd5Tl]
_chemical_formula_sum '[La8 Nd10 Tl2]'
_cell_volume [731.4603]
_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  8  0.0000  0.3081  0.4622  1
  Nd  Nd1  8  0.1862  0.1862  0.9530  1
  Nd  Nd2  2  0.0000  0.0000  0.6651  1
  Tl  Tl3  2  0.0000  0.0000  0.1847  1
]