data_[Nd16Sc4Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0804]
_cell_length_b [5.0086]
_cell_length_c [8.0599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Sc2Tl]
_chemical_formula_sum '[Nd16 Sc4 Tl2]'
_cell_volume [700.7617]
_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  0.0471  0.0000  0.7256  1.0
  Nd  Nd1  4  0.0947  0.5000  0.4469  1.0
  Nd  Nd2  4  0.1392  0.0000  0.1878  1.0
  Nd  Nd3  4  0.1807  0.5000  0.9103  1.0
  Sc  Sc4  4  0.2257  0.0000  0.6300  1.0
  Tl  Tl5  2  0.0000  0.5000  0.0000  1.0
]