data_[Ba12Sn4Pd8]
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 [P2_1/c]
_cell_length_a [6.5404]
_cell_length_b [13.0162]
_cell_length_c [10.6436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba3SnPd2]
_chemical_formula_sum '[Ba12 Sn4 Pd8]'
_cell_volume [851.8998]
_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  0.1923  0.5536  0.8953  1
  Ba  Ba1  4  0.2695  0.5965  0.5116  1
  Ba  Ba2  4  0.3316  0.2315  0.1745  1
  Sn  Sn3  4  0.0759  0.6966  0.1641  1
  Pd  Pd4  4  0.1738  0.1287  0.8718  1
  Pd  Pd5  4  0.3270  0.5158  0.2285  1
]