data_[Ba2Re4Pd2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Re  1.9000  1.3500  0.7125
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2235]
_cell_length_b [7.3084]
_cell_length_c [7.2715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3011]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaRe2PdO8]
_chemical_formula_sum '[Ba2 Re4 Pd2 O16]'
_cell_volume [530.8274]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Re  Re1  4  0.1689  0.5000  0.7314  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0693  0.3027  0.7248  1.0
  O  O4  4  0.2041  0.0000  0.0608  1.0
  O  O5  4  0.2427  0.5000  0.5328  1.0
]