data_[Ba6Sr6Pd8]
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 [Amm2]
_cell_length_a [4.6266]
_cell_length_b [11.9527]
_cell_length_c [11.9501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba3Sr3Pd4]
_chemical_formula_sum '[Ba6 Sr6 Pd8]'
_cell_volume [660.8485]
_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  0.5000  0.1620  0.4989  1
  Ba  Ba1  2  0.5000  0.0000  0.8404  1
  Sr  Sr2  4  0.0000  0.2472  0.2482  1
  Sr  Sr3  2  0.5000  0.0000  0.1628  1
  Pd  Pd4  4  0.0000  0.1223  0.0059  1
  Pd  Pd5  2  0.0000  0.0000  0.3669  1
  Pd  Pd6  2  0.0000  0.0000  0.6238  1
]