data_[K16As24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.8543]
_cell_length_b [9.9926]
_cell_length_c [15.0253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [K2As3]
_chemical_formula_sum '[K16 As24]'
_cell_volume [1329.3923]
_cell_formula_units_Z [8]
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
[
  K  K0  8  0.0000  0.2464  0.5000  1.0
  K  K1  8  0.2500  0.2500  0.2500  1.0
  As  As2  16  0.2379  0.0000  0.0808  1.0
  As  As3  8  0.0000  0.0000  0.1621  1.0
]