data_[Sn2B4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [8.9145]
_cell_length_b [3.2171]
_cell_length_c [9.4331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(BPd3)2]
_chemical_formula_sum '[Sn2 B4 Pd12]'
_cell_volume [268.0862]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.5000  1.0
  B  B1  4  0.1988  0.5000  0.8487  1.0
  Pd  Pd2  4  0.0447  0.0000  0.7934  1.0
  Pd  Pd3  4  0.1541  0.5000  0.0713  1.0
  Pd  Pd4  4  0.2370  0.5000  0.6320  1.0
]