data_[Ba16Bi4Pd4]
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 [C2/c]
_cell_length_a [10.7368]
_cell_length_b [15.6872]
_cell_length_c [7.8128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4BiPd]
_chemical_formula_sum '[Ba16 Bi4 Pd4]'
_cell_volume [1090.4974]
_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  0.1181  0.1799  0.5948  1.0
  Ba  Ba1  8  0.2176  0.4448  0.7879  1.0
  Bi  Bi2  4  0.0000  0.3663  0.2500  1.0
  Pd  Pd3  4  0.0000  0.0003  0.7500  1.0
]