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 [P2_1/c]
_cell_length_a [9.4831]
_cell_length_b [7.1108]
_cell_length_c [14.5949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sn4P2O9]
_chemical_formula_sum '[Sn16 P8 O36]'
_cell_volume [948.7117]
_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  0.0373  0.2163  0.3525  1
  Sn  Sn1  4  0.2826  0.5196  0.6128  1
  Sn  Sn2  4  0.3197  0.0016  0.5909  1
  Sn  Sn3  4  0.3227  0.7288  0.3297  1
  P  P4  4  0.0315  0.7083  0.4016  1
  P  P5  4  0.3688  0.2329  0.8157  1
  O  O6  4  0.0331  0.0026  0.1121  1
  O  O7  4  0.0725  0.7316  0.8068  1
  O  O8  4  0.0833  0.1629  0.5767  1
  O  O9  4  0.1798  0.7113  0.4786  1
  O  O10  4  0.2384  0.7134  0.1745  1
  O  O11  4  0.2520  0.1019  0.8423  1
  O  O12  4  0.2931  0.0767  0.2792  1
  O  O13  4  0.4250  0.1291  0.7374  1
  O  O14  4  0.4965  0.7366  0.0978  1
]