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 [P2_1/m]
_cell_length_a [7.2822]
_cell_length_b [7.8448]
_cell_length_c [8.0355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSr3Pd]
_chemical_formula_sum '[Ba2 Sr6 Pd2]'
_cell_volume [458.8911]
_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  0.4140  0.7500  0.1116  1.0
  Sr  Sr1  4  0.0717  0.5003  0.7588  1.0
  Sr  Sr2  2  0.4177  0.2500  0.3812  1.0
  Pd  Pd3  2  0.1885  0.2500  0.0517  1.0
]