data_[Sn1B2Pd1O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7656]
_cell_length_b [4.8414]
_cell_length_c [5.6176]
_cell_angle_alpha [87.6960]
_cell_angle_beta [70.2511]
_cell_angle_gamma [65.1787]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnB2PdO6]
_chemical_formula_sum '[Sn1 B2 Pd1 O6]'
_cell_volume [109.9306]
_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
[
  Sn  Sn0  1  0.0000  0.5000  0.5000  1.0
  B  B1  2  0.4502  0.8083  0.2684  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.2031  0.0861  0.2459  1.0
  O  O4  2  0.2470  0.2091  0.7357  1.0
  O  O5  2  0.4082  0.5471  0.2935  1.0
]