data_[Zr12Pd4O4]
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 [Cmcm]
_cell_length_a [3.4081]
_cell_length_b [11.2585]
_cell_length_c [9.0441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr3PdO]
_chemical_formula_sum '[Zr12 Pd4 O4]'
_cell_volume [347.0279]
_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  0.0000  0.3699  0.0520  1.0
  Zr  Zr1  4  0.0000  0.0540  0.2500  1.0
  Pd  Pd2  4  0.0000  0.2447  0.7500  1.0
  O  O3  4  0.0000  0.0000  0.0000  1.0
]