data_[Cs3Cu6Ag6I21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.6308]
_cell_length_b [7.6308]
_cell_length_c [38.1405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsCu2Ag2I7]
_chemical_formula_sum '[Cs3 Cu6 Ag6 I21]'
_cell_volume [1923.3694]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  6  0.0000  0.0000  0.0688  1.0
  Ag  Ag2  6  0.0000  0.0000  0.2493  1.0
  I  I3  18  0.0066  0.3619  0.2474  1.0
  I  I4  3  0.0000  0.0000  0.0000  1.0
]