data_[B1Sb2Pd8]
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 [P-1]
_cell_length_a [4.8043]
_cell_length_b [5.4206]
_cell_length_c [7.8948]
_cell_angle_alpha [110.0138]
_cell_angle_beta [91.8280]
_cell_angle_gamma [112.9980]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [B(SbPd4)2]
_chemical_formula_sum '[B1 Sb2 Pd8]'
_cell_volume [174.5386]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.0000  1
  Sb  Sb1  2  0.1352  0.6220  0.3318  1
  Pd  Pd2  2  0.0736  0.8035  0.0599  1
  Pd  Pd3  2  0.2811  0.2091  0.4633  1
  Pd  Pd4  2  0.2999  0.9657  0.7446  1
  Pd  Pd5  2  0.4723  0.5804  0.8463  1
]