data_[Nd4Sc12Te8]
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 [C2/m]
_cell_length_a [15.2852]
_cell_length_b [4.0758]
_cell_length_c [11.6003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSc3Te2]
_chemical_formula_sum '[Nd4 Sc12 Te8]'
_cell_volume [645.3058]
_cell_formula_units_Z [4]
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  0.1376  0.0000  0.0577  1
  Sc  Sc1  4  0.0431  0.0000  0.3600  1
  Sc  Sc2  4  0.1153  0.5000  0.5940  1
  Sc  Sc3  4  0.2179  0.5000  0.3900  1
  Te  Te4  4  0.0229  0.5000  0.1599  1
  Te  Te5  4  0.1863  0.0000  0.8032  1
]