data_[Sb6Se8]
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 [7.5690]
_cell_length_b [4.0793]
_cell_length_c [13.7168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb3Se4]
_chemical_formula_sum '[Sb6 Se8]'
_cell_volume [413.8983]
_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
[
  Sb  Sb0  4  0.0346  0.5000  0.7321  1.0
  Sb  Sb1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.1562  0.0000  0.3737  1.0
  Se  Se3  4  0.2127  0.5000  0.1230  1.0
]