data_[K4Zr8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0499]
_cell_length_b [3.2469]
_cell_length_c [11.5116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KZr2Pd]
_chemical_formula_sum '[K4 Zr8 Pd4]'
_cell_volume [413.2104]
_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  0.0936  0.5000  0.4232  1
  Zr  Zr1  4  0.1145  0.0000  0.1244  1
  Zr  Zr2  4  0.1329  0.5000  0.9029  1
  Pd  Pd3  4  0.1896  0.0000  0.7316  1
]