data_[Sb4Se8]
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 [C2/m]
_cell_length_a [11.8099]
_cell_length_b [4.0972]
_cell_length_c [8.4009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbSe2]
_chemical_formula_sum '[Sb4 Se8]'
_cell_volume [373.4820]
_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
[
  Sb  Sb0  4  0.1078  0.5000  0.3246  1.0
  Se  Se1  4  0.1095  0.0000  0.0814  1.0
  Se  Se2  4  0.1547  0.0000  0.5922  1.0
]