data_[Bi4B4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2442]
_cell_length_b [5.1098]
_cell_length_c [5.9676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BiBPd4]
_chemical_formula_sum '[Bi4 B4 Pd16]'
_cell_volume [387.0118]
_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
[
  Bi  Bi0  4  0.0000  0.1262  0.7500  1.0
  B  B1  4  0.2500  0.2500  0.5000  1.0
  Pd  Pd2  8  0.0978  0.4002  0.4451  1.0
  Pd  Pd3  8  0.2030  0.0950  0.1498  1.0
]