data_[Ag4Sb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4647]
_cell_length_b [5.9641]
_cell_length_c [13.4089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6769]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AgSbSe2]
_chemical_formula_sum '[Ag4 Sb4 Se8]'
_cell_volume [516.7821]
_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
[
  Ag  Ag0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  4  0.4263  0.2270  0.6598  1.0
  Se  Se3  4  0.0238  0.2454  0.6525  1.0
  Se  Se4  4  0.4916  0.1694  0.8501  1.0
]