data_[K1Bi2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0907]
_cell_length_b [4.0907]
_cell_length_c [11.9245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [K(BiPd3)2]
_chemical_formula_sum '[K1 Bi2 Pd6]'
_cell_volume [199.5470]
_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  0.0000  0.0000  0.0000  1
  Bi  Bi1  2  0.5000  0.5000  0.1893  1
  Pd  Pd2  4  0.0000  0.5000  0.3386  1
  Pd  Pd3  1  0.0000  0.0000  0.5000  1
  Pd  Pd4  1  0.5000  0.5000  0.5000  1
]