data_[Nb6Bi1Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.8149]
_cell_length_b [10.8149]
_cell_length_c [3.6275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Nb6BiTe8]
_chemical_formula_sum '[Nb6 Bi1 Te8]'
_cell_volume [367.4367]
_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
[
  Nb  Nb0  6  0.1024  0.4872  0.2497  1.0
  Bi  Bi1  1  0.0000  0.0000  0.5000  1.0
  Te  Te2  6  0.0655  0.7308  0.2525  1.0
  Te  Te3  2  0.3333  0.6667  0.7491  1.0
]