data_[Ba8Bi12Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.8192]
_cell_length_b [17.3756]
_cell_length_c [7.8176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ba2Bi3Pd4]
_chemical_formula_sum '[Ba8 Bi12 Pd16]'
_cell_volume [926.2861]
_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  8  0.0000  0.1009  0.5834  1.0
  Bi  Bi1  8  0.2500  0.2387  0.2500  1.0
  Bi  Bi2  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0000  0.1695  0.9970  1.0
  Pd  Pd4  8  0.2500  0.0745  0.2500  1.0
]