data_[K3Al6As6O21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.4372]
_cell_length_b [5.4372]
_cell_length_c [25.0574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KAl2As2O7]
_chemical_formula_sum '[K3 Al6 As6 O21]'
_cell_volume [641.5367]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5000  1.0
  Al  Al1  6  0.0000  0.0000  0.0683  1.0
  As  As2  6  0.0000  0.0000  0.2687  1.0
  O  O3  18  0.0072  0.4330  0.4296  1.0
  O  O4  3  0.0000  0.0000  0.0000  1.0
]