data_[Ba4Sr12Pd4]
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 [C2]
_cell_length_a [15.2242]
_cell_length_b [7.5902]
_cell_length_c [8.7277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaSr3Pd]
_chemical_formula_sum '[Ba4 Sr12 Pd4]'
_cell_volume [961.6957]
_cell_formula_units_Z [4]
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  0.2495  0.7684  0.6303  1.0
  Sr  Sr1  4  0.0046  0.6032  0.7524  1.0
  Sr  Sr2  4  0.2491  0.2576  0.8803  1.0
  Sr  Sr3  2  0.0000  0.0840  0.0000  1.0
  Sr  Sr4  2  0.0000  0.0962  0.5000  1.0
  Pd  Pd5  4  0.1235  0.9311  0.8143  1.0
]