data_[Nb3Te1Cl7]
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 [P3m1]
_cell_length_a [6.9859]
_cell_length_b [6.9859]
_cell_length_c [7.3257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nb3TeCl7]
_chemical_formula_sum '[Nb3 Te1 Cl7]'
_cell_volume [309.6194]
_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  3  0.2797  0.1398  0.5012  1.0
  Te  Te1  1  0.0000  0.0000  0.2094  1.0
  Cl  Cl2  3  0.1640  0.3281  0.7175  1.0
  Cl  Cl3  3  0.5010  0.4990  0.3253  1.0
  Cl  Cl4  1  0.6667  0.3333  0.6883  1.0
]