data_KPO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   5.94
_cell_length_c   12.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPO3
_chemical_formula_sum   'K4 P4 O12'
_cell_volume   342.51
_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  0.04  0.45  0.55  1.0
  K  K1  1  0.29  0.45  0.66  1.0
  K  K2  1  0.46  0.48  0.26  1.0
  K  K3  1  0.21  0.48  0.15  1.0
  P  P4  1  0.09  0.48  0.62  1.0
  P  P5  1  0.84  0.48  0.59  1.0
  P  P6  1  0.41  0.45  0.18  1.0
  P  P7  1  0.67  0.45  0.22  1.0
  O  O8  1  0.53  0.48  0.11  1.0
  O  O9  1  0.79  0.48  0.1  1.0
  O  O10  1  0.97  0.45  0.69  1.0
  O  O11  1  0.72  0.45  0.71  1.0
  O  O12  1  0.16  0.16  0.9  1.0
  O  O13  1  0.41  0.75  0.5  1.0
  O  O14  1  0.34  0.19  0.91  1.0
  O  O15  1  0.09  0.78  0.3  1.0
  O  O16  1  0.41  0.16  0.5  1.0
  O  O17  1  0.16  0.75  0.9  1.0
  O  O18  1  0.09  0.19  0.3  1.0
  O  O19  1  0.34  0.78  0.91  1.0

data_KPO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.5
_cell_length_b   5.94
_cell_length_c   12.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KPO3
_chemical_formula_sum   'K4 P4 O12'
_cell_volume   342.51
_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  0.04  0.98  0.26  1.0
  K  K1  2  0.21  0.02  0.85  1.0
  P  P2  2  0.16  0.98  0.78  1.0
  P  P3  2  0.41  0.98  0.82  1.0
  O  O4  2  0.09  0.72  0.5  1.0
  O  O5  2  0.09  0.31  0.5  1.0
  O  O6  2  0.16  0.28  0.1  1.0
  O  O7  2  0.16  0.69  0.1  1.0
  O  O8  2  0.28  0.02  0.71  1.0
  O  O9  2  0.47  0.98  0.31  1.0

K K K K P P P P O O O O O O O O O O O O