data_[K12P4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7305]
_cell_length_b [14.0966]
_cell_length_c [7.5616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3PPd3]
_chemical_formula_sum '[K12 P4 Pd12]'
_cell_volume [835.5693]
_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  4  0.0000  0.1780  0.5000  1
  K  K1  4  0.0000  0.2281  0.0000  1
  K  K2  4  0.1518  0.5000  0.2807  1
  P  P3  4  0.2325  0.0000  0.0847  1
  Pd  Pd4  8  0.1569  0.3934  0.6626  1
  Pd  Pd5  4  0.0203  0.0000  0.1956  1
]