data_[Nd36Tl18Sn3]
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 [R-3]
_cell_length_a [14.7440]
_cell_length_b [14.7440]
_cell_length_c [9.8763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12Tl6Sn]
_chemical_formula_sum '[Nd36 Tl18 Sn3]'
_cell_volume [1859.3309]
_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  0.0534  0.1868  0.2594  1
  Nd  Nd1  18  0.0537  0.2597  0.9165  1
  Tl  Tl2  18  0.0674  0.2416  0.5751  1
  Sn  Sn3  3  0.0000  0.0000  0.0000  1
]