data_[K4Tl20Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6244]
_cell_length_b [13.9592]
_cell_length_c [15.3904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KTl5Pd3]
_chemical_formula_sum '[K4 Tl20 Pd12]'
_cell_volume [993.4918]
_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  0.0000  0.1622  0.2500  1
  Tl  Tl1  8  0.0000  0.2126  0.5868  1
  Tl  Tl2  8  0.0000  0.4571  0.1528  1
  Tl  Tl3  4  0.0000  0.0000  0.0000  1
  Pd  Pd4  8  0.0000  0.3932  0.5248  1
  Pd  Pd5  4  0.0000  0.1123  0.7500  1
]