data_[Ba4Al2Sn2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5143]
_cell_length_b [5.8312]
_cell_length_c [8.5460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AlSnPd6]
_chemical_formula_sum '[Ba4 Al2 Sn2 Pd12]'
_cell_volume [473.3446]
_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  0.2475  0.5000  0.2945  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd3  8  0.0267  0.2442  0.7833  1.0
  Pd  Pd4  4  0.2461  0.0000  0.1115  1.0
]