data_[Sn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1852]
_cell_length_b [5.8595]
_cell_length_c [7.3588]
_cell_angle_alpha [91.5206]
_cell_angle_beta [91.2650]
_cell_angle_gamma [115.0908]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SnO3]
_chemical_formula_sum '[Sn4 O12]'
_cell_volume [202.2755]
_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  1  0.1596  0.3658  0.0120  1
  Sn  Sn1  1  0.3748  0.7369  0.4321  1
  Sn  Sn2  1  0.4717  0.9521  0.9394  1
  Sn  Sn3  1  0.6762  0.3162  0.5359  1
  O  O4  1  0.0831  0.0051  0.8882  1
  O  O5  1  0.2712  0.7107  0.1368  1
  O  O6  1  0.3478  0.3473  0.3629  1
  O  O7  1  0.4271  0.9968  0.6680  1
  O  O8  1  0.4423  0.5227  0.6520  1
  O  O9  1  0.4451  0.3189  0.1817  1
  O  O10  1  0.4871  0.6068  0.8407  1
  O  O11  1  0.7043  0.0495  0.3664  1
  O  O12  1  0.7409  0.3471  0.9547  1
  O  O13  1  0.8876  0.9797  0.0521  1
  O  O14  1  0.9190  0.4154  0.7866  1
  O  O15  1  0.9617  0.6279  0.4406  1
]