data_KNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.14
_cell_length_c   4.14
_cell_angle_alpha   89.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbO3
_chemical_formula_sum   'K1 Nb1 O3'
_cell_volume   68.83
_cell_formula_units_Z   1
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  1  0.0  0.0  0.86  1.0
  Nb  Nb1  1  0.01  0.0  0.82  1.0
  O  O2  1  0.0  0.0  0.06  1.0
  O  O3  1  0.01  0.57  0.59  1.0
  O  O4  1  0.01  0.43  0.59  1.0

data_KNbO3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.03
_cell_length_b   4.14
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KNbO3
_chemical_formula_sum   'K1 Nb1 O3'
_cell_volume   68.83
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  1  0.0  0.0  0.86  1.0
  Nb  Nb1  1  0.01  0.0  0.82  1.0
  O  O2  2  0.01  0.43  0.59  1.0
  O  O3  1  0.0  0.0  0.06  1.0

K Nb O O O