data_[K4Nb12Se8O48]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [4.0727]
_cell_length_b [15.1815]
_cell_length_c [17.5497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [KNb3(SeO6)2]
_chemical_formula_sum '[K4 Nb12 Se8 O48]'
_cell_volume [1085.1064]
_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  4  0.2006  0.0671  0.7500  1
  Nb  Nb1  8  0.2579  0.6483  0.5667  1
  Nb  Nb2  4  0.2629  0.7112  0.2500  1
  Se  Se3  8  0.4115  0.0812  0.1013  1
  O  O4  8  0.1878  0.1425  0.5672  1
  O  O5  8  0.3025  0.5675  0.0289  1
  O  O6  8  0.3095  0.6043  0.1732  1
  O  O7  8  0.3131  0.7036  0.6677  1
  O  O8  8  0.3273  0.5266  0.6278  1
  O  O9  4  0.1859  0.2034  0.2500  1
  O  O10  4  0.3141  0.7500  0.0000  1
]