data_[Cs1K2As1Cl8]
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
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4262]
_cell_length_b [6.9127]
_cell_length_c [9.2529]
_cell_angle_alpha [92.3564]
_cell_angle_beta [98.2146]
_cell_angle_gamma [100.8891]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsK2AsCl8]
_chemical_formula_sum '[Cs1 K2 As1 Cl8]'
_cell_volume [398.5169]
_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  0.4868  0.6218  0.7555  1.0
  As  As2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0216  0.7312  0.8339  1.0
  Cl  Cl4  2  0.2119  0.8833  0.1845  1.0
  Cl  Cl5  2  0.3053  0.1925  0.9239  1.0
  Cl  Cl6  2  0.4209  0.7264  0.4295  1.0
]