data_[Nd16Tl10Zn2]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.5616]
_cell_length_b [9.5616]
_cell_length_c [9.5959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd8Tl5Zn]
_chemical_formula_sum '[Nd16 Tl10 Zn2]'
_cell_volume [877.3027]
_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  0.0727  0.8149  0.2009  1.0
  Nd  Nd1  8  0.0747  0.6751  0.5469  1.0
  Tl  Tl2  8  0.1213  0.7506  0.8735  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn4  2  0.0000  0.5000  0.2500  1.0
]