data_[Cs12Sc8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.7847]
_cell_length_b [12.3190]
_cell_length_c [8.2165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3(ScTe2)2]
_chemical_formula_sum '[Cs12 Sc8 Te16]'
_cell_volume [1694.2664]
_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
[
  Cs  Cs0  8  0.1165  0.1345  0.0384  1.0
  Cs  Cs1  4  0.0000  0.4068  0.7500  1.0
  Sc  Sc2  8  0.2144  0.3726  0.4383  1.0
  Te  Te3  8  0.1223  0.1885  0.5204  1.0
  Te  Te4  8  0.1770  0.4343  0.1072  1.0
]