data_[B4Sb4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2612]
_cell_length_b [4.3531]
_cell_length_c [7.7006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BSbPd4]
_chemical_formula_sum '[B4 Sb4 Pd16]'
_cell_volume [410.0761]
_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
[
  B  B0  4  0.0914  0.0000  0.3632  1
  Sb  Sb1  4  0.2393  0.5000  0.1538  1
  Pd  Pd2  4  0.0636  0.5000  0.3427  1
  Pd  Pd3  4  0.0818  0.0000  0.6351  1
  Pd  Pd4  4  0.1026  0.0000  0.0905  1
  Pd  Pd5  4  0.2377  0.5000  0.6150  1
]