data_[Ag6Sn8Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1665]
_cell_length_b [12.1289]
_cell_length_c [8.6059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3(SnTe2)4]
_chemical_formula_sum '[Ag6 Sn8 Te16]'
_cell_volume [901.7653]
_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  0.2500  0.2500  0.5000  1.0
  Ag  Ag1  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn2  4  0.2500  0.2500  0.0000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5000  1.0
  Te  Te5  4  0.0000  0.2501  0.0000  1.0
  Te  Te6  4  0.0000  0.2545  0.5000  1.0
  Te  Te7  4  0.2413  0.5000  0.9906  1.0
  Te  Te8  4  0.2490  0.0000  0.4893  1.0
]