data_[Zn2B4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1128]
_cell_length_b [10.2054]
_cell_length_c [4.3145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn(BPd4)2]
_chemical_formula_sum '[Zn2 B4 Pd16]'
_cell_volume [303.4096]
_cell_formula_units_Z [2]
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
[
  Zn  Zn0  2  0.0000  0.0000  0.5000  1
  B  B1  4  0.0000  0.3202  0.0000  1
  Pd  Pd2  8  0.1972  0.1326  0.0902  1
  Pd  Pd3  4  0.0000  0.2525  0.5000  1
  Pd  Pd4  4  0.1157  0.5000  0.2980  1
]