data_[Sn9Bi6Te18]
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 [R3m]
_cell_length_a [4.4696]
_cell_length_b [4.4696]
_cell_length_c [66.6164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sn3(BiTe3)2]
_chemical_formula_sum '[Sn9 Bi6 Te18]'
_cell_volume [1152.5325]
_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
[
  Sn  Sn0  3  0.0000  0.0000  0.2713  1.0
  Sn  Sn1  3  0.0000  0.0000  0.4550  1.0
  Sn  Sn2  3  0.0000  0.0000  0.5450  1.0
  Bi  Bi3  3  0.0000  0.0000  0.7269  1.0
  Bi  Bi4  3  0.0000  0.0000  0.9991  1.0
  Te  Te5  3  0.0000  0.0000  0.0859  1.0
  Te  Te6  3  0.0000  0.0000  0.1885  1.0
  Te  Te7  3  0.0000  0.0000  0.3625  1.0
  Te  Te8  3  0.0000  0.0000  0.6397  1.0
  Te  Te9  3  0.0000  0.0000  0.8114  1.0
  Te  Te10  3  0.0000  0.0000  0.9143  1.0
]