data_[Na12Y3Sc9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  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 [8.5795]
_cell_length_b [8.5795]
_cell_length_c [22.6185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na4YSc3Te8]
_chemical_formula_sum '[Na12 Y3 Sc9 Te24]'
_cell_volume [1441.8386]
_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
[
  Na  Na0  9  0.0000  0.5000  0.5000  1
  Na  Na1  3  -0.0000  -0.0000  0.5000  1
  Y  Y2  3  -0.0000  -0.0000  0.0000  1
  Sc  Sc3  9  0.0000  0.5000  0.0000  1
  Te  Te4  18  0.0101  0.5051  0.2585  1
  Te  Te5  6  0.0000  0.0000  0.2606  1
]