data_[Nb1Te4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1090]
_cell_length_b [7.2937]
_cell_length_c [8.3001]
_cell_angle_alpha [77.5609]
_cell_angle_beta [75.9806]
_cell_angle_gamma [80.9883]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nb(Te2Cl3)2]
_chemical_formula_sum '[Nb1 Te4 Cl6]'
_cell_volume [405.2625]
_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  1  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.3155  0.7110  0.5671  1.0
  Te  Te2  2  0.3875  0.5172  0.3051  1.0
  Cl  Cl3  2  0.0067  0.8299  0.2844  1.0
  Cl  Cl4  2  0.1316  0.2524  0.0537  1.0
  Cl  Cl5  2  0.3264  0.8566  0.8978  1.0
]