data_[Ag4B4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8814]
_cell_length_b [5.6296]
_cell_length_c [12.7369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [AgBPd4]
_chemical_formula_sum '[Ag4 B4 Pd16]'
_cell_volume [350.0098]
_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
[
  Ag  Ag0  4  0.0000  0.5000  0.3066  1.0
  B  B1  4  0.1872  0.5000  0.0000  1.0
  Pd  Pd2  8  0.0000  0.2484  0.1138  1.0
  Pd  Pd3  4  0.0000  0.0000  0.3105  1.0
  Pd  Pd4  4  0.0000  0.2565  0.5000  1.0
]