data_[Nd8Sm8Tl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.2800]
_cell_length_b [7.3471]
_cell_length_c [10.0179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Nd2Sm2Tl5]
_chemical_formula_sum '[Nd8 Sm8 Tl20]'
_cell_volume [1124.6430]
_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
[
  Nd  Nd0  8  0.1283  0.5352  0.0648  1
  Sm  Sm1  4  0.0000  0.0000  0.9995  1
  Sm  Sm2  4  0.2500  0.0171  0.1239  1
  Tl  Tl3  8  0.0457  0.6920  0.7796  1
  Tl  Tl4  8  0.1513  0.2144  0.8397  1
  Tl  Tl5  4  0.2500  0.6978  0.3445  1
]