data_[Ag6Sb2Se6]
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 [Cm]
_cell_length_a [6.1122]
_cell_length_b [8.5592]
_cell_length_c [19.4463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ag3SbSe3]
_chemical_formula_sum '[Ag6 Sb2 Se6]'
_cell_volume [1017.3444]
_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
[
  Ag  Ag0  4  0.4576  0.1831  0.4727  1
  Ag  Ag1  2  0.3479  0.5000  0.5954  1
  Sb  Sb2  2  0.3550  0.5000  0.4284  1
  Se  Se3  4  0.1696  0.2178  0.5820  1
  Se  Se4  2  0.4759  0.0000  0.3667  1
]