data_[K2Nb2B4O12]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.5343]
_cell_length_b [4.0629]
_cell_length_c [9.3756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KNb(BO3)2]
_chemical_formula_sum '[K2 Nb2 B4 O12]'
_cell_volume [287.0006]
_cell_formula_units_Z [2]
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  2  0.0000  0.4964  0.6122  1.0
  Nb  Nb1  2  0.0000  0.7997  0.0013  1.0
  B  B2  4  0.1650  0.0172  0.2904  1.0
  O  O3  4  0.1819  0.8692  0.1607  1.0
  O  O4  4  0.1917  0.8497  0.8577  1.0
  O  O5  2  0.0000  0.0488  0.3603  1.0
  O  O6  2  0.0000  0.3527  0.0012  1.0
]