data_[Cs3Cu12Sn9Cl36]
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
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [14.3421]
_cell_length_b [14.3421]
_cell_length_c [10.7682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsCu4(SnCl4)3]
_chemical_formula_sum '[Cs3 Cu12 Sn9 Cl36]'
_cell_volume [1918.2356]
_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
  Cu  Cu1  9  0.0000  0.4270  0.5000  1.0
  Cu  Cu2  3  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  9  0.0000  0.5610  0.0000  1.0
  Cl  Cl4  18  0.0410  0.2120  0.2025  1.0
  Cl  Cl5  9  0.0000  0.5853  0.5000  1.0
  Cl  Cl6  9  0.0000  0.8454  0.5000  1.0
]