data_[Sn4B4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7416]
_cell_length_b [2.7088]
_cell_length_c [7.5146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnBO]
_chemical_formula_sum '[Sn4 B4 O4]'
_cell_volume [219.5766]
_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
[
  Sn  Sn0  4  0.1308  0.5000  0.0082  1
  B  B1  4  0.2439  0.0000  0.3788  1
  O  O2  4  0.1852  0.0000  0.5134  1
]