data_[Sb6Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3658]
_cell_length_b [4.3658]
_cell_length_c [17.8303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sb2Te]
_chemical_formula_sum '[Sb6 Te3]'
_cell_volume [294.3248]
_cell_formula_units_Z [3]
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
[
  Sb  Sb0  2  0.0000  0.0000  0.3480  1.0
  Sb  Sb1  2  0.3333  0.6667  0.1106  1.0
  Sb  Sb2  2  0.3333  0.6667  0.4345  1.0
  Te  Te3  2  0.3333  0.6667  0.7940  1.0
  Te  Te4  1  0.0000  0.0000  0.0000  1.0
]