data_[Sn6Bi2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.7692]
_cell_length_b [4.2945]
_cell_length_c [15.5917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sn3BiTe6]
_chemical_formula_sum '[Sn6 Bi2 Te12]'
_cell_volume [720.0524]
_cell_formula_units_Z [2]
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  2  0.1172  0.2500  0.5832  1.0
  Sn  Sn1  2  0.1314  0.7500  0.2441  1.0
  Sn  Sn2  2  0.3806  0.7500  0.7313  1.0
  Bi  Bi3  2  0.3480  0.2500  0.0778  1.0
  Te  Te4  2  0.0949  0.7500  0.7286  1.0
  Te  Te5  2  0.1446  0.7500  0.0533  1.0
  Te  Te6  2  0.1603  0.7500  0.4529  1.0
  Te  Te7  2  0.3240  0.2500  0.2755  1.0
  Te  Te8  2  0.3929  0.2500  0.5990  1.0
  Te  Te9  2  0.4229  0.2500  0.8811  1.0
]