data_KP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   117.97
_cell_angle_beta   117.97
_cell_angle_gamma   117.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KP3
_chemical_formula_sum   'K1 P3'
_cell_volume   75.48
_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  0.0  1.0
  P  P1  1  0.47  0.54  0.85  1.0
  P  P2  1  0.53  0.54  0.85  1.0
  P  P3  1  0.0  0.92  0.85  1.0

data_KP3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   117.97
_cell_angle_beta   98.26
_cell_angle_gamma   98.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KP3
_chemical_formula_sum   'K1 P3'
_cell_volume   75.48
_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  0.0  1.0
  P  P1  1  0.85  0.32  0.31  1.0
  P  P2  1  0.85  0.38  0.31  1.0
  P  P3  1  0.85  0.85  0.93  1.0

K P P P