data_[K8Nb12Cl28O20]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.0885]
_cell_length_b [8.9994]
_cell_length_c [11.3173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2Nb3Cl7O5]
_chemical_formula_sum '[K8 Nb12 Cl28 O20]'
_cell_volume [1603.9781]
_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
[
  K  K0  8  0.2045  0.0343  0.3567  1
  Nb  Nb1  8  0.0029  0.2116  0.9729  1
  Nb  Nb2  4  0.0000  0.4630  0.2500  1
  Cl  Cl3  8  0.1520  0.4249  0.3387  1
  Cl  Cl4  8  0.1522  0.2139  0.6340  1
  Cl  Cl5  8  0.1568  0.2063  0.0462  1
  Cl  Cl6  4  0.0000  0.0902  0.7500  1
  O  O7  8  0.0023  0.2866  0.1210  1
  O  O8  8  0.0023  0.3989  0.8746  1
  O  O9  4  0.0000  0.0000  0.0000  1
]