data_[Cs4K6Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2866]
_cell_length_b [5.7666]
_cell_length_c [11.4851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2K3Sb4]
_chemical_formula_sum '[Cs4 K6 Sb8]'
_cell_volume [805.9638]
_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  0.1115  0.0000  0.8943  1
  K  K1  4  0.2401  0.0000  0.3388  1
  K  K2  2  0.0000  0.0000  0.5000  1
  Sb  Sb3  4  0.0463  0.5000  0.3330  1
  Sb  Sb4  4  0.0990  0.5000  0.1173  1
]