data_[Sb16Te24]
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 [Fdd2]
_cell_length_a [13.4719]
_cell_length_b [13.5857]
_cell_length_c [7.8486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Sb2Te3]
_chemical_formula_sum '[Sb16 Te24]'
_cell_volume [1436.4980]
_cell_formula_units_Z [8]
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  16  0.0547  0.1265  0.6659  1.0
  Te  Te1  16  0.1007  0.1963  0.0366  1.0
  Te  Te2  8  0.0000  0.0000  0.3449  1.0
]