data_[La1Nd8Tl4]
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 [Pmm2]
_cell_length_a [3.7728]
_cell_length_b [5.5010]
_cell_length_c [20.4742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La(Nd2Tl)4]
_chemical_formula_sum '[La1 Nd8 Tl4]'
_cell_volume [424.9213]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.6638  1
  Nd  Nd1  1  0.0000  0.0000  0.2538  1
  Nd  Nd2  1  0.0000  0.0000  0.5148  1
  Nd  Nd3  1  0.0000  0.5000  0.3901  1
  Nd  Nd4  1  0.0000  0.5000  0.7741  1
  Nd  Nd5  1  0.5000  0.0000  0.0941  1
  Nd  Nd6  1  0.5000  0.0000  0.8239  1
  Nd  Nd7  1  0.5000  0.5000  0.2217  1
  Nd  Nd8  1  0.5000  0.5000  0.9455  1
  Tl  Tl9  1  0.0000  0.0000  0.9581  1
  Tl  Tl10  1  0.0000  0.5000  0.0865  1
  Tl  Tl11  1  0.5000  0.0000  0.3845  1
  Tl  Tl12  1  0.5000  0.5000  0.5861  1
]