data_[Sb8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.0517]
_cell_length_b [8.7735]
_cell_length_c [9.3865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [SbSe]
_chemical_formula_sum '[Sb8 Se8]'
_cell_volume [498.3771]
_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
[
  Sb  Sb0  4  0.0500  0.8652  0.7889  1
  Sb  Sb1  4  0.1996  0.5407  0.4115  1
  Se  Se2  4  0.0843  0.1159  0.5607  1
  Se  Se3  4  0.1536  0.2993  0.1428  1
]