data_KPPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   5.0
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   98.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPPd2
_chemical_formula_sum   'K1 P1 Pd2'
_cell_volume   89.09
_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  0.08  0.0  0.9  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.07  0.5  0.46  1.0
  Pd  Pd3  1  0.1  0.5  0.35  1.0

data_KPPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.07
_cell_length_b   5.0
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   98.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KPPd2
_chemical_formula_sum   'K1 P1 Pd2'
_cell_volume   89.09
_cell_formula_units_Z   1
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  1  0.08  0.0  0.9  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.07  0.5  0.46  1.0
  Pd  Pd3  1  0.1  0.5  0.35  1.0

K P Pd Pd