data_[Sb1Te6]
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 [P1]
_cell_length_a [5.7840]
_cell_length_b [6.1085]
_cell_length_c [20.4832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [116.2020]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SbTe6]
_chemical_formula_sum '[Sb1 Te6]'
_cell_volume [649.3298]
_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
[
  Sb  Sb0  1  0.0582  0.9996  0.4828  1
  Te  Te1  1  0.2935  0.4699  0.5941  1
  Te  Te2  1  0.4871  0.0414  0.3651  1
  Te  Te3  1  0.6237  0.6670  0.4046  1
  Te  Te4  1  0.7692  0.9754  0.6083  1
  Te  Te5  1  0.7843  0.4766  0.6328  1
  Te  Te6  1  0.9841  0.3701  0.4122  1
]