data_[K4In12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5018]
_cell_length_b [7.3667]
_cell_length_c [7.4193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KIn3Pd]
_chemical_formula_sum '[K4 In12 Pd4]'
_cell_volume [566.7827]
_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  2  0.2776  0.0000  0.8215  1
  K  K1  2  0.3666  0.0000  0.3761  1
  In  In2  4  0.0280  0.2167  0.8731  1
  In  In3  4  0.1225  0.2907  0.3434  1
  In  In4  2  0.2098  0.5000  0.9094  1
  In  In5  2  0.4128  0.5000  0.4252  1
  Pd  Pd6  2  0.3067  0.5000  0.6569  1
  Pd  Pd7  2  0.4792  0.5000  0.1389  1
]