data_[Nd24Sc40Te96]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.7683]
_cell_length_b [17.7683]
_cell_length_c [17.7683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Nd3Sc5Te12]
_chemical_formula_sum '[Nd24 Sc40 Te96]'
_cell_volume [5609.6553]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  Sc  Sc1  24  0.0000  0.2500  0.3750  1
  Sc  Sc2  16  0.0000  0.0000  0.0000  1
  Te  Te3  96  0.0257  0.0650  0.6500  1
]