data_KP(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   107.49
_cell_angle_beta   107.49
_cell_angle_gamma   113.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KP(HO2)2
_chemical_formula_sum   'K2 P2 H4 O8'
_cell_volume   200.6
_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  1  0.0  0.0  0.51  1.0
  K  K1  1  0.78  0.0  0.75  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.78  0.75  1.0
  H  H4  1  0.89  0.06  0.12  1.0
  H  H5  1  0.89  0.72  0.63  1.0
  H  H6  1  0.72  0.11  0.38  1.0
  H  H7  1  0.06  0.67  0.88  1.0
  O  O8  1  0.46  0.3  0.62  1.0
  O  O9  1  0.1  0.08  0.14  1.0
  O  O10  1  0.1  0.7  0.62  1.0
  O  O11  1  0.68  0.7  0.64  1.0
  O  O12  1  0.48  0.68  0.89  1.0
  O  O13  1  0.08  0.46  0.86  1.0
  O  O14  1  0.08  0.32  0.89  1.0
  O  O15  1  0.7  0.32  0.37  1.0

data_KP(HO2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   107.49
_cell_angle_beta   107.49
_cell_angle_gamma   113.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KP(HO2)2
_chemical_formula_sum   'K2 P2 H4 O8'
_cell_volume   200.6
_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  1  0.0  0.0  0.51  1.0
  K  K1  1  0.78  0.0  0.75  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.78  0.75  1.0
  H  H4  1  0.06  0.67  0.88  1.0
  H  H5  1  0.72  0.11  0.38  1.0
  H  H6  1  0.89  0.06  0.12  1.0
  H  H7  1  0.89  0.72  0.63  1.0
  O  O8  1  0.08  0.32  0.89  1.0
  O  O9  1  0.08  0.46  0.86  1.0
  O  O10  1  0.1  0.08  0.14  1.0
  O  O11  1  0.1  0.7  0.62  1.0
  O  O12  1  0.46  0.3  0.62  1.0
  O  O13  1  0.48  0.68  0.89  1.0
  O  O14  1  0.68  0.7  0.64  1.0
  O  O15  1  0.7  0.32  0.37  1.0

K K P P H H H H O O O O O O O O
K K P P H H H H O O O O O O O O 0 11 - - o 0 6 - o o 0 4 - o o 0 14 o o o 0 1 - o o 0 10 o - o 0 5 - - o 0 3 o - o 0 9 o o o 0 8 o o o 1 11 o - o 1 14 + o o 1 2 + o + 1 12 o - o 2 9 o o o 2 4 - o o 2 12 - - - 3 5 - o o 3 7 o o o 3 10 o o o 4 9 + o o 4 12 o - - 5 8 o o o 5 10 + o o 5 11 o o o 6 15 o o o 6 8 o o o 6 12 o - - 7 13 o o o 7 12 o o o 8 9 o o o 8 12 o o o 8 15 o o o 8 11 o o o 10 12 o o o 11 12 o o o 12 14 o o o 12 13 o o o 13 14 o o o 