data_[K4P4Pd4]
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 [P2_1/c]
_cell_length_a [6.7586]
_cell_length_b [6.5422]
_cell_length_c [7.6146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KPPd]
_chemical_formula_sum '[K4 P4 Pd4]'
_cell_volume [300.3748]
_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  0.1653  0.1253  0.8589  1
  P  P1  4  0.3141  0.6481  0.0766  1
  Pd  Pd2  4  0.4267  0.6173  0.8297  1
]