data_[Cs3Zn12In9Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [15.1350]
_cell_length_b [15.1350]
_cell_length_c [11.9782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsZn4(InCl4)3]
_chemical_formula_sum '[Cs3 Zn12 In9 Cl36]'
_cell_volume [2376.2265]
_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  0.0000  1.0
  Zn  Zn1  9  0.0000  0.4558  0.5000  1.0
  Zn  Zn2  3  0.0000  0.0000  0.5000  1.0
  In  In3  9  0.0000  0.5412  0.0000  1.0
  Cl  Cl4  18  0.0208  0.2065  0.1668  1.0
  Cl  Cl5  9  0.0000  0.6020  0.5000  1.0
  Cl  Cl6  9  0.0000  0.8544  0.5000  1.0
]