data_[Cs4K8As4]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.1191]
_cell_length_b [8.4847]
_cell_length_c [11.0184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsK2As]
_chemical_formula_sum '[Cs4 K8 As4]'
_cell_volume [887.9223]
_cell_formula_units_Z [4]
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  0.0677  0.5060  0.2160  1.0
  K  K1  4  0.2978  0.1261  0.1310  1.0
  K  K2  4  0.3293  0.6913  0.9846  1.0
  As  As3  4  0.0435  0.6397  0.5287  1.0
]