data_[Sn8P12O40]
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 [12.6259]
_cell_length_b [8.0385]
_cell_length_c [9.7747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sn2P3O10]
_chemical_formula_sum '[Sn8 P12 O40]'
_cell_volume [964.9494]
_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  0.1472  0.5523  0.4520  1
  Sn  Sn1  4  0.4090  0.1078  0.7664  1
  P  P2  4  0.0529  0.5809  0.7723  1
  P  P3  4  0.2646  0.0746  0.4080  1
  P  P4  4  0.3510  0.7179  0.4550  1
  O  O5  4  0.0642  0.0218  0.7368  1
  O  O6  4  0.0673  0.6089  0.6219  1
  O  O7  4  0.0808  0.7241  0.8752  1
  O  O8  4  0.1352  0.0671  0.3428  1
  O  O9  4  0.2816  0.1135  0.5620  1
  O  O10  4  0.2873  0.6918  0.5708  1
  O  O11  4  0.3014  0.5827  0.3418  1
  O  O12  4  0.3070  0.1980  0.3168  1
  O  O13  4  0.3118  0.6032  0.8786  1
  O  O14  4  0.4735  0.7199  0.4979  1
]