data_[K12Nb4P8O36]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.2944]
_cell_length_b [17.9356]
_cell_length_c [9.9402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3NbP2O9]
_chemical_formula_sum '[K12 Nb4 P8 O36]'
_cell_volume [943.9081]
_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  0.2438  0.1370  0.0765  1
  K  K1  4  0.2497  0.0735  0.4581  1
  K  K2  4  0.2509  0.7049  0.0424  1
  Nb  Nb3  4  0.2358  0.5892  0.6858  1
  P  P4  4  0.2554  0.2109  0.7639  1
  P  P5  4  0.2631  0.5389  0.3291  1
  O  O6  4  0.0064  0.1776  0.8322  1
  O  O7  4  0.0600  0.0231  0.8584  1
  O  O8  4  0.2257  0.5804  0.8643  1
  O  O9  4  0.2266  0.5710  0.1890  1
  O  O10  4  0.2510  0.5969  0.4441  1
  O  O11  4  0.2523  0.1990  0.6128  1
  O  O12  4  0.2824  0.2086  0.3097  1
  O  O13  4  0.4722  0.5009  0.6597  1
  O  O14  4  0.4768  0.1629  0.8320  1
]