data_[Cs3Sc1Ag2I9]
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
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.3565]
_cell_length_b [8.3565]
_cell_length_c [10.3806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3ScAg2I9]
_chemical_formula_sum '[Cs3 Sc1 Ag2 I9]'
_cell_volume [627.7720]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3292  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  2  0.3333  0.6667  0.8438  1.0
  I  I4  6  0.1640  0.3280  0.6606  1.0
  I  I5  3  0.0000  0.5000  0.0000  1.0
]