data_[La4Nd8Tl2]
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 [P2_1/m]
_cell_length_a [5.8960]
_cell_length_b [6.8529]
_cell_length_c [11.9962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2Nd4Tl]
_chemical_formula_sum '[La4 Nd8 Tl2]'
_cell_volume [471.4656]
_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  0.1499  0.7500  0.4265  1.0
  La  La1  2  0.4888  0.2500  0.0232  1.0
  Nd  Nd2  4  0.3517  0.0063  0.7189  1.0
  Nd  Nd3  2  0.0819  0.7500  0.1226  1.0
  Nd  Nd4  2  0.2931  0.2500  0.4360  1.0
  Tl  Tl5  2  0.0591  0.2500  0.1654  1.0
]