data_[Cs4Cu6Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1102]
_cell_length_b [8.2640]
_cell_length_c [6.8970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Cu3Cl8]
_chemical_formula_sum '[Cs4 Cu6 Cl16]'
_cell_volume [795.1337]
_cell_formula_units_Z [2]
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  4  0.2304  0.5000  0.6633  1.0
  Cu  Cu1  4  0.0000  0.3160  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.0608  0.2177  0.3233  1.0
  Cl  Cl4  4  0.1204  0.5000  0.0258  1.0
  Cl  Cl5  4  0.1451  0.0000  0.7510  1.0
]