data_[Ba4Sr6Pd8]
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/c]
_cell_length_a [8.4303]
_cell_length_b [8.4146]
_cell_length_c [8.2601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2Sr3Pd4]
_chemical_formula_sum '[Ba4 Sr6 Pd8]'
_cell_volume [558.5108]
_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  4  0.1974  0.6786  0.5807  1
  Sr  Sr1  4  0.2414  0.1718  0.7523  1
  Sr  Sr2  2  0.5000  0.0000  0.5000  1
  Pd  Pd3  4  0.0873  0.0303  0.3805  1
  Pd  Pd4  4  0.4968  0.6201  0.3801  1
]