data_[Ag2Sb1Te5]
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 [P-1]
_cell_length_a [6.1043]
_cell_length_b [6.8482]
_cell_length_c [6.8580]
_cell_angle_alpha [80.6919]
_cell_angle_beta [65.9514]
_cell_angle_gamma [66.3038]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag2SbTe5]
_chemical_formula_sum '[Ag2 Sb1 Te5]'
_cell_volume [239.7292]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.5000  0.0000  0.0000  1.0
  Sb  Sb2  1  0.0000  0.5000  0.5000  1.0
  Te  Te3  2  0.2223  0.0075  0.5509  1.0
  Te  Te4  2  0.2707  0.4482  0.0074  1.0
  Te  Te5  1  0.5000  0.5000  0.5000  1.0
]