data_[K4Tc4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tc  1.9000  1.3500  0.7417
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9693]
_cell_length_b [3.1549]
_cell_length_c [8.6491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTcPd]
_chemical_formula_sum '[K4 Tc4 Pd4]'
_cell_volume [284.2527]
_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  0.1531  0.5000  0.6669  1
  K  K1  2  0.4678  0.5000  0.9292  1
  Tc  Tc2  2  0.2008  0.5000  0.2966  1
  Tc  Tc3  2  0.2808  0.0000  0.1630  1
  Pd  Pd4  2  0.3621  0.0000  0.5164  1
  Pd  Pd5  2  0.4949  0.5000  0.3040  1
]