data_[K8As2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [10.1463]
_cell_length_b [10.1463]
_cell_length_c [5.9863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [K4AsPd5]
_chemical_formula_sum '[K8 As2 Pd10]'
_cell_volume [616.2769]
_cell_formula_units_Z [2]
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  8  0.1021  0.2983  0.4581  1
  As  As1  2  0.0000  0.0000  0.2102  1
  Pd  Pd2  8  0.0558  0.1835  0.9594  1
  Pd  Pd3  2  0.0000  0.0000  0.6083  1
]