data_[Zr12Pd4O2]
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 [P2_1/c]
_cell_length_a [5.8284]
_cell_length_b [6.3595]
_cell_length_c [10.9540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr6Pd2O]
_chemical_formula_sum '[Zr12 Pd4 O2]'
_cell_volume [353.1650]
_cell_formula_units_Z [2]
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  4  0.1225  0.1928  0.4574  1.0
  Zr  Zr1  4  0.2965  0.6835  0.4557  1.0
  Zr  Zr2  4  0.4040  0.0236  0.2570  1.0
  Pd  Pd3  4  0.1423  0.1066  0.7454  1.0
  O  O4  2  0.5000  0.0000  0.5000  1.0
]