data_[Ba4Si2Bi2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0500]
_cell_length_b [5.9400]
_cell_length_c [8.3015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2SiBiPd6]
_chemical_formula_sum '[Ba4 Si2 Bi2 Pd12]'
_cell_volume [479.2494]
_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  0.2468  0.0000  0.7919  1.0
  Si  Si1  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0374  0.2581  0.3053  1.0
  Pd  Pd4  4  0.2417  0.5000  0.6290  1.0
]