data_[Sn8Sb4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.2595]
_cell_length_b [6.2595]
_cell_length_c [12.6841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Sn2SbTe]
_chemical_formula_sum '[Sn8 Sb4 Te4]'
_cell_volume [496.9877]
_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
[
  Sn  Sn0  8  0.0000  0.0000  0.2432  1.0
  Sb  Sb1  4  0.0000  0.0000  0.0000  1.0
  Te  Te2  4  0.0000  0.0000  0.5000  1.0
]