data_[Se2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [13.7447]
_cell_length_b [13.7447]
_cell_length_c [17.1824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [SeI5]
_chemical_formula_sum '[Se2 I10]'
_cell_volume [2811.1572]
_cell_formula_units_Z [2]
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
[
  Se  Se0  2  0.3333  0.6667  0.4280  1
  I  I1  6  0.1866  0.7169  0.4893  1
  I  I2  3  0.0000  0.7587  0.5550  1
  I  I3  1  0.0000  0.0000  0.5429  1
]