data_[Ag4Sn4Te6]
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 [P2_1/c]
_cell_length_a [6.8779]
_cell_length_b [8.6198]
_cell_length_c [8.0587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ag2Sn2Te3]
_chemical_formula_sum '[Ag4 Sn4 Te6]'
_cell_volume [427.3467]
_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  0.4274  0.6367  0.5593  1.0
  Sn  Sn1  4  0.1365  0.1779  0.3738  1.0
  Te  Te2  4  0.3097  0.5817  0.1624  1.0
  Te  Te3  2  0.0000  0.0000  0.0000  1.0
]