data_[Ag6Sb2Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.1643]
_cell_length_b [7.9223]
_cell_length_c [7.5463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ag3SbTe4]
_chemical_formula_sum '[Ag6 Sb2 Te8]'
_cell_volume [547.8846]
_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  0.2443  0.6768  0.9935  1.0
  Ag  Ag1  2  0.0000  0.8449  0.5140  1.0
  Sb  Sb2  2  0.0000  0.1677  0.0026  1.0
  Te  Te3  4  0.2491  0.6586  0.6230  1.0
  Te  Te4  2  0.0000  0.1812  0.6284  1.0
  Te  Te5  2  0.0000  0.8374  0.1373  1.0
]