data_[Li4Sc20Te32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [12.1339]
_cell_length_b [12.1339]
_cell_length_c [12.1339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [LiSc5Te8]
_chemical_formula_sum '[Li4 Sc20 Te32]'
_cell_volume [1786.4713]
_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
[
  Li  Li0  4  0.2500  0.2500  0.2500  1.0
  Sc  Sc1  16  0.1184  0.1184  0.6184  1.0
  Sc  Sc2  4  0.0000  0.0000  0.0000  1.0
  Te  Te3  16  0.1198  0.1198  0.3802  1.0
  Te  Te4  16  0.1335  0.1335  0.8665  1.0
]