data_[Nd4Sm6Tl6]
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 [Immm]
_cell_length_a [4.5475]
_cell_length_b [5.0420]
_cell_length_c [20.9380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd2(SmTl)3]
_chemical_formula_sum '[Nd4 Sm6 Tl6]'
_cell_volume [480.0778]
_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
[
  Nd  Nd0  4  0.0000  0.5000  0.2621  1.0
  Sm  Sm1  4  0.0000  0.0000  0.3818  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  4  0.0000  0.0000  0.1247  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
]