data_[Ba9La9Sc3Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  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 [9.2513]
_cell_length_b [9.2513]
_cell_length_c [24.1898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba3La3ScTe8]
_chemical_formula_sum '[Ba9 La9 Sc3 Te24]'
_cell_volume [1792.9498]
_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
[
  Ba  Ba0  9  0.0000  0.5000  0.0000  1
  La  La1  9  0.0000  0.5000  0.5000  1
  Sc  Sc2  3  0.0000  0.0000  0.5000  1
  Te  Te3  18  0.0198  0.5099  0.2376  1
  Te  Te4  6  0.0000  0.0000  0.2432  1
]