data_[Ba2Sr6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5159]
_cell_length_b [8.4602]
_cell_length_c [8.5289]
_cell_angle_alpha [117.4712]
_cell_angle_beta [90.1716]
_cell_angle_gamma [90.1930]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaSr3Pd]
_chemical_formula_sum '[Ba2 Sr6 Pd2]'
_cell_volume [481.1618]
_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  0.3312  0.6295  0.8669  1.0
  Sr  Sr1  2  0.1672  0.1222  0.8586  1.0
  Sr  Sr2  2  0.1769  0.6354  0.3752  1.0
  Sr  Sr3  2  0.3212  0.1351  0.3767  1.0
  Pd  Pd4  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd5  1  0.5000  0.5000  0.5000  1.0
]