data_[K18P6Pd3]
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 [R-3m]
_cell_length_a [5.7178]
_cell_length_b [5.7178]
_cell_length_c [30.2515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K6P2Pd]
_chemical_formula_sum '[K18 P6 Pd3]'
_cell_volume [856.5255]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1882  1.0
  K  K1  6  0.0000  0.0000  0.3003  1.0
  K  K2  6  0.0000  0.0000  0.4167  1.0
  P  P3  6  0.0000  0.0000  0.0807  1.0
  Pd  Pd4  3  0.0000  0.0000  0.0000  1.0
]