data_[K4Nb4Se4O4]
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 [C2]
_cell_length_a [5.0830]
_cell_length_b [5.7988]
_cell_length_c [13.2898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KNbSeO]
_chemical_formula_sum '[K4 Nb4 Se4 O4]'
_cell_volume [391.3466]
_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  0.1637  0.5951  0.3406  1
  Nb  Nb1  4  0.1804  0.9343  0.9353  1
  Se  Se2  4  0.1563  0.0869  0.2058  1
  O  O3  2  0.0000  0.2251  0.0000  1
  O  O4  2  0.0000  0.6422  0.0000  1
]