data_[Li3Nd9Sc9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [R-3m]
_cell_length_a [8.5903]
_cell_length_b [8.5903]
_cell_length_c [21.2545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiNd3Sc3Te8]
_chemical_formula_sum '[Li3 Nd9 Sc9 Te24]'
_cell_volume [1358.3172]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  9  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  9  0.0000  0.5000  0.0000  1.0
  Te  Te3  18  0.0106  0.5053  0.2557  1.0
  Te  Te4  6  0.0000  0.0000  0.2582  1.0
]