data_[K21Nb3S18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.9821]
_cell_length_b [14.9821]
_cell_length_c [9.1464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K7Nb(SO4)6]
_chemical_formula_sum '[K21 Nb3 S18 O72]'
_cell_volume [1777.9770]
_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  18  0.0536  0.6027  0.2900  1
  K  K1  3  0.0000  0.0000  0.5000  1
  Nb  Nb2  3  0.0000  0.0000  0.0000  1
  S  S3  18  0.0326  0.8378  0.2263  1
  O  O4  18  0.0015  0.2661  0.8279  1
  O  O5  18  0.0067  0.1625  0.6263  1
  O  O6  18  0.0211  0.1185  0.8758  1
  O  O7  18  0.0927  0.2364  0.2149  1
]