data_[Cs1K2Sb1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1455]
_cell_length_b [7.4067]
_cell_length_c [9.8264]
_cell_angle_alpha [91.2991]
_cell_angle_beta [97.6826]
_cell_angle_gamma [104.6221]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsK2SbCl8]
_chemical_formula_sum '[Cs1 K2 Sb1 Cl8]'
_cell_volume [428.1651]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  K  K1  2  0.4943  0.5653  0.7325  1.0
  Sb  Sb2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0556  0.7640  0.8340  1.0
  Cl  Cl4  2  0.1945  0.8757  0.1895  1.0
  Cl  Cl5  2  0.3567  0.2195  0.9638  1.0
  Cl  Cl6  2  0.4064  0.7259  0.4545  1.0
]