data_[Ba6Sn4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [11.7907]
_cell_length_b [4.7145]
_cell_length_c [9.2758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(SnPd2)2]
_chemical_formula_sum '[Ba6 Sn4 Pd8]'
_cell_volume [505.5622]
_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  0.1245  0.5000  0.3858  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1775  0.5000  0.7841  1.0
  Pd  Pd3  4  0.0852  0.0000  0.6395  1.0
  Pd  Pd4  4  0.2389  0.5000  0.0852  1.0
]