data_[Ag2Sn8Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7760]
_cell_length_b [8.4249]
_cell_length_c [8.2036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ag(Sn2Se3)2]
_chemical_formula_sum '[Ag2 Sn8 Se12]'
_cell_volume [606.4863]
_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  2  0.0676  0.0000  0.0254  1
  Sn  Sn1  4  0.2839  0.2468  0.6910  1
  Sn  Sn2  2  0.0099  0.5000  0.0675  1
  Sn  Sn3  2  0.4318  0.5000  0.3375  1
  Se  Se4  4  0.2314  0.2526  0.3720  1
  Se  Se5  4  0.2402  0.2627  0.0201  1
  Se  Se6  2  0.4881  0.0000  0.7210  1
  Se  Se7  2  0.4938  0.5000  0.6827  1
]