data_[Nb6Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [18.3980]
_cell_length_b [4.7946]
_cell_length_c [18.3980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbTe]
_chemical_formula_sum '[Nb6 Te6]'
_cell_volume [1405.4698]
_cell_formula_units_Z [6]
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  2  0.0188  0.7500  0.4061  1
  Nb  Nb1  2  0.0745  0.2500  0.5154  1
  Nb  Nb2  2  0.0875  0.7500  0.6158  1
  Te  Te3  2  0.0437  0.2500  0.3411  1
  Te  Te4  2  0.1617  0.2500  0.7013  1
  Te  Te5  2  0.1864  0.7500  0.5384  1
]