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 [Pc]
_cell_length_a [7.6124]
_cell_length_b [8.7765]
_cell_length_c [7.6634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [BaSr3Pd]
_chemical_formula_sum '[Ba2 Sr6 Pd2]'
_cell_volume [482.4752]
_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  0.7290  0.1257  0.5598  1.0
  Sr  Sr1  2  0.2208  0.3817  0.5627  1.0
  Sr  Sr2  2  0.2255  0.1305  0.0552  1.0
  Sr  Sr3  2  0.7413  0.3821  0.0618  1.0
  Pd  Pd4  2  0.9813  0.3701  0.8130  1.0
]