data_[Sn16P8O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.7302]
_cell_length_b [7.2529]
_cell_length_c [13.6988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sn4P2O9]
_chemical_formula_sum '[Sn16 P8 O36]'
_cell_volume [966.7493]
_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  8  0.1354  0.0150  0.8364  1
  Sn  Sn1  4  0.0341  0.7500  0.3904  1
  Sn  Sn2  4  0.1917  0.2500  0.0908  1
  P  P3  4  0.0435  0.2500  0.3633  1
  P  P4  4  0.1497  0.7500  0.0501  1
  O  O5  8  0.0854  0.5718  0.0943  1
  O  O6  8  0.1315  0.0718  0.3707  1
  O  O7  4  0.0433  0.7500  0.7306  1
  O  O8  4  0.0639  0.7500  0.5485  1
  O  O9  4  0.1071  0.7500  0.9357  1
  O  O10  4  0.1947  0.2500  0.5634  1
  O  O11  4  0.2021  0.2500  0.9375  1
]