data_[Ag4Sb4Te8]
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 [Pna2_1]
_cell_length_a [8.9754]
_cell_length_b [8.9456]
_cell_length_c [6.9908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [AgSbTe2]
_chemical_formula_sum '[Ag4 Sb4 Te8]'
_cell_volume [561.2938]
_cell_formula_units_Z [4]
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  0.0802  0.6187  0.5044  1.0
  Sb  Sb1  4  0.1284  0.0846  0.5100  1.0
  Te  Te2  4  0.0421  0.6617  0.1068  1.0
  Te  Te3  4  0.1177  0.1459  0.1058  1.0
]