data_[Sn8Se8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.1433]
_cell_length_b [8.1515]
_cell_length_c [9.7702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SnSeO3]
_chemical_formula_sum '[Sn8 Se8 O24]'
_cell_volume [755.5128]
_cell_formula_units_Z [8]
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  0.0227  0.5509  0.3062  1
  Sn  Sn1  4  0.3814  0.7186  0.8047  1
  Se  Se2  4  0.1888  0.5125  0.0509  1
  Se  Se3  4  0.3457  0.1274  0.9087  1
  O  O4  4  0.0987  0.6395  0.1352  1
  O  O5  4  0.1323  0.5973  0.8757  1
  O  O6  4  0.1659  0.1695  0.8358  1
  O  O7  4  0.3362  0.5841  0.4388  1
  O  O8  4  0.3562  0.5951  0.1282  1
  O  O9  4  0.3926  0.2031  0.0842  1
]