data_[Ge9Bi6Te18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.3175]
_cell_length_b [4.3175]
_cell_length_c [65.6920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ge3(BiTe3)2]
_chemical_formula_sum '[Ge9 Bi6 Te18]'
_cell_volume [1060.4981]
_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
[
  Ge  Ge0  3  0.0000  0.0000  0.4540  1.0
  Ge  Ge1  3  0.0000  0.0000  0.5447  1.0
  Ge  Ge2  3  0.0000  0.0000  0.7302  1.0
  Bi  Bi3  3  0.0000  0.0000  0.0026  1.0
  Bi  Bi4  3  0.0000  0.0000  0.2718  1.0
  Te  Te5  3  0.0000  0.0000  0.0846  1.0
  Te  Te6  3  0.0000  0.0000  0.1906  1.0
  Te  Te7  3  0.0000  0.0000  0.3633  1.0
  Te  Te8  3  0.0000  0.0000  0.6375  1.0
  Te  Te9  3  0.0000  0.0000  0.8083  1.0
  Te  Te10  3  0.0000  0.0000  0.9113  1.0
]