data_[Sb8Te12]
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 [C2/m]
_cell_length_a [15.5181]
_cell_length_b [4.2933]
_cell_length_c [10.3682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb2Te3]
_chemical_formula_sum '[Sb8 Te12]'
_cell_volume [686.3821]
_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
[
  Sb  Sb0  4  0.0176  0.0000  0.7860  1.0
  Sb  Sb1  4  0.2351  0.0000  0.1814  1.0
  Te  Te2  4  0.0755  0.5000  0.3633  1.0
  Te  Te3  4  0.1348  0.5000  0.9943  1.0
  Te  Te4  4  0.1689  0.0000  0.6482  1.0
]