data_[Nd16Tl10Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.6334]
_cell_length_b [9.6334]
_cell_length_c [9.6452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd8Tl5Sn]
_chemical_formula_sum '[Nd16 Tl10 Sn2]'
_cell_volume [895.1020]
_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  8  0.0693  0.3256  0.5476  1.0
  Nd  Nd1  8  0.0756  0.1804  0.1958  1.0
  Tl  Tl2  8  0.1231  0.2481  0.8715  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn4  2  0.0000  0.5000  0.2500  1.0
]