data_[Mg4Pd4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7398]
_cell_length_b [3.0499]
_cell_length_c [4.1689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgPdO]
_chemical_formula_sum '[Mg4 Pd4 O4]'
_cell_volume [160.7649]
_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
[
  Mg  Mg0  2  0.0929  0.5000  0.1781  1
  Mg  Mg1  2  0.2510  0.5000  0.6245  1
  Pd  Pd2  2  0.3715  0.0000  0.0611  1
  Pd  Pd3  2  0.4897  0.5000  0.7146  1
  O  O4  2  0.1417  0.0000  0.4964  1
  O  O5  2  0.2602  0.5000  0.1300  1
]