data_[Nd36Tl3Cd18]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.2596]
_cell_length_b [15.2596]
_cell_length_c [8.4174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12TlCd6]
_chemical_formula_sum '[Nd36 Tl3 Cd18]'
_cell_volume [1697.4472]
_cell_formula_units_Z [3]
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  18  0.0048  0.8664  0.6675  1
  Nd  Nd1  18  0.0665  0.5006  0.6712  1
  Tl  Tl2  3  0.0000  0.0000  0.0000  1
  Cd  Cd3  18  0.0265  0.7514  0.3285  1
]