data_[K4Bi8Pd12]
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 [C2/m]
_cell_length_a [17.0957]
_cell_length_b [4.3327]
_cell_length_c [8.9741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KBi2Pd3]
_chemical_formula_sum '[K4 Bi8 Pd12]'
_cell_volume [613.1239]
_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  0.1511  0.0000  0.0517  1.0
  Bi  Bi1  4  0.0265  0.5000  0.1992  1.0
  Bi  Bi2  4  0.1884  0.0000  0.6689  1.0
  Pd  Pd3  4  0.0449  0.0000  0.3950  1.0
  Pd  Pd4  4  0.0788  0.5000  0.6388  1.0
  Pd  Pd5  4  0.1847  0.5000  0.4570  1.0
]