data_[Nd10Sc2Te16]
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 [I-4]
_cell_length_a [9.4429]
_cell_length_b [9.4429]
_cell_length_c [9.6316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd5ScTe8]
_chemical_formula_sum '[Nd10 Sc2 Te16]'
_cell_volume [858.8336]
_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  0.1200  0.7498  0.8780  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  2  0.0000  0.5000  0.2500  1.0
  Te  Te3  8  0.0694  0.8114  0.2044  1.0
  Te  Te4  8  0.0769  0.6756  0.5515  1.0
]