data_K2P2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   10.74
_cell_angle_alpha   92.41
_cell_angle_beta   92.41
_cell_angle_gamma   73.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2P2Pd
_chemical_formula_sum   'K2 P2 Pd1'
_cell_volume   153.35
_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  0.72  0.0  0.51  1.0
  K  K1  1  0.88  0.0  0.21  1.0
  P  P2  1  0.82  0.0  0.81  1.0
  P  P3  1  0.79  0.0  0.91  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0

data_K2P2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   10.74
_cell_angle_alpha   87.59
_cell_angle_beta   87.59
_cell_angle_gamma   73.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2P2Pd
_chemical_formula_sum   'K2 P2 Pd1'
_cell_volume   153.35
_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  0.12  0.0  0.21  1.0
  K  K1  1  0.28  0.0  0.51  1.0
  P  P2  1  0.18  0.0  0.81  1.0
  P  P3  1  0.21  0.0  0.91  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0

K K P P Pd
K K P P Pd 0 0 o + o 0 0 + o o 0 1 o o o 0 2 o o o 1 4 + o o 2 3 o o o 3 4 + o + 