data_K3NO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01
_cell_length_b   8.08
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3NO4
_chemical_formula_sum   'K12 N4 O16'
_cell_volume   514.99
_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  1  0.1  0.97  0.89  1.0
  K  K1  1  0.42  0.11  0.0  1.0
  K  K2  1  0.92  0.01  0.89  1.0
  K  K3  1  0.59  0.07  0.78  1.0
  K  K4  1  0.92  0.11  0.89  1.0
  K  K5  1  0.59  0.97  0.78  1.0
  K  K6  1  0.1  0.07  0.89  1.0
  K  K7  1  0.42  0.01  0.0  1.0
  K  K8  1  0.77  0.06  0.06  1.0
  K  K9  1  0.74  0.02  0.17  1.0
  K  K10  1  0.25  0.02  0.72  1.0
  K  K11  1  0.27  0.06  0.62  1.0
  N  N12  1  0.79  0.06  0.66  1.0
  N  N13  1  0.28  0.06  0.24  1.0
  N  N14  1  0.22  0.02  0.13  1.0
  N  N15  1  0.73  0.02  0.55  1.0
  O  O16  1  0.19  0.91  0.03  1.0
  O  O17  1  0.31  0.17  0.92  1.0
  O  O18  1  0.82  0.87  0.76  1.0
  O  O19  1  0.7  0.21  0.86  1.0
  O  O20  1  0.5  0.06  0.54  1.0
  O  O21  1  0.0  0.02  0.43  1.0
  O  O22  1  0.51  0.02  0.25  1.0
  O  O23  1  0.01  0.06  0.35  1.0
  O  O24  1  0.82  0.17  0.76  1.0
  O  O25  1  0.31  0.87  0.92  1.0
  O  O26  1  0.19  0.21  0.03  1.0
  O  O27  1  0.7  0.91  0.86  1.0
  O  O28  1  0.73  0.06  0.6  1.0
  O  O29  1  0.79  0.02  0.49  1.0
  O  O30  1  0.28  0.02  0.19  1.0
  O  O31  1  0.23  0.06  0.3  1.0

data_K3NO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.79
_cell_length_b   8.08
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K3NO4
_chemical_formula_sum   'K12 N4 O16'
_cell_volume   514.99
_cell_formula_units_Z   4
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  2  0.0  0.43  0.59  1.0
  K  K1  2  0.0  0.53  0.59  1.0
  K  K2  2  0.11  0.57  0.92  1.0
  K  K3  2  0.11  0.47  0.92  1.0
  K  K4  2  0.17  0.52  0.26  1.0
  K  K5  2  0.28  0.48  0.23  1.0
  N  N6  2  0.24  0.48  0.72  1.0
  N  N7  2  0.34  0.52  0.78  1.0
  O  O8  2  0.03  0.63  0.81  1.0
  O  O9  2  0.03  0.33  0.81  1.0
  O  O10  2  0.14  0.37  0.69  1.0
  O  O11  2  0.14  0.67  0.69  1.0
  O  O12  2  0.3  0.48  0.77  1.0
  O  O13  2  0.35  0.48  0.0  1.0
  O  O14  2  0.4  0.52  0.72  1.0
  O  O15  2  0.46  0.52  0.5  1.0

K K K K K K K K K K K K N N N N O O O O O O O O O O O O O O O O
K K K K K K K K K K K K N N N N O O O O O O O O O O O O O O O O 0 6 o + o 1 7 o o o 1 17 o o - 1 22 o o o 2 4 o o o 2 18 o - o 3 5 o - o 3 19 o o o 3 20 o o o 5 20 o + o 5 27 o o o 6 26 o o + 7 22 o o o 7 25 o - - 8 9 o o o 8 19 o o - 10 11 o o o 10 25 o - o 12 28 o o o 12 18 o - o 12 24 o o o 13 30 o o o 13 31 o o o 14 30 o o o 14 16 o - o 14 26 o o o 15 28 o o o 15 29 o o o 16 25 o o - 17 26 o o + 18 27 o o o 19 24 o o o 20 22 o o o 21 23 o o o 