data_[K1Ac2Nb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.7107]
_cell_length_b [5.7107]
_cell_length_c [5.7377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [KAc2NbO6]
_chemical_formula_sum '[K1 Ac2 Nb1 O6]'
_cell_volume [187.1185]
_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
[
  K  K0  1  0.5000  0.5000  0.5312  1
  Ac  Ac1  2  0.0000  0.5000  0.9882  1
  Nb  Nb2  1  0.0000  0.0000  0.6071  1
  O  O3  4  0.2234  0.2234  0.7414  1
  O  O4  1  0.0000  0.0000  0.2719  1
  O  O5  1  0.5000  0.5000  0.0945  1
]