data_[Nb2Fe4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.4752]
_cell_length_b [3.6919]
_cell_length_c [19.2295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbFe2Te3]
_chemical_formula_sum '[Nb2 Fe4 Te6]'
_cell_volume [1027.6352]
_cell_formula_units_Z [2]
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  0.3253  0.5000  0.4831  1
  Fe  Fe1  2  0.0160  0.0000  0.4705  1
  Fe  Fe2  2  0.4514  0.0000  0.5299  1
  Te  Te3  2  0.1837  0.0000  0.5088  1
  Te  Te4  2  0.4028  0.5000  0.6138  1
  Te  Te5  2  0.4191  0.0000  0.3939  1
]