data_[Zr16Pd4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3364]
_cell_length_b [13.1535]
_cell_length_c [5.7316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4PdO]
_chemical_formula_sum '[Zr16 Pd4 O4]'
_cell_volume [462.1134]
_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
[
  Zr  Zr0  8  0.1404  0.2087  0.6503  1
  Zr  Zr1  8  0.2296  0.0513  0.2117  1
  Pd  Pd2  4  0.0000  0.3857  0.2500  1
  O  O3  4  0.0000  0.0625  0.7500  1
]