data_[Sn8P4I4O16]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [14.1867]
_cell_length_b [9.0986]
_cell_length_c [4.7564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Sn2PIO4]
_chemical_formula_sum '[Sn8 P4 I4 O16]'
_cell_volume [613.9535]
_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  0.1193  0.3042  0.5214  1
  P  P1  4  0.2500  0.1359  0.0514  1
  I  I2  4  0.0000  0.0000  0.4771  1
  O  O3  8  0.1590  0.2010  0.9265  1
  O  O4  4  0.2500  0.1740  0.3748  1
  O  O5  4  0.2500  0.4642  0.5259  1
]