data_[Nb16Fe4Te16]
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 [Pbam]
_cell_length_a [10.6362]
_cell_length_b [18.4524]
_cell_length_c [4.8747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Nb4FeTe4]
_chemical_formula_sum '[Nb16 Fe4 Te16]'
_cell_volume [956.7162]
_cell_formula_units_Z [4]
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  4  0.0660  0.1190  0.5000  1
  Nb  Nb1  4  0.1004  0.8895  0.0000  1
  Nb  Nb2  4  0.1938  0.0583  0.0000  1
  Nb  Nb3  4  0.2086  0.9628  0.5000  1
  Fe  Fe4  4  0.0000  0.0000  0.2502  1
  Te  Te5  4  0.1107  0.2049  0.0000  1
  Te  Te6  4  0.1440  0.4349  0.0000  1
  Te  Te7  4  0.1678  0.5998  0.5000  1
  Te  Te8  4  0.1713  0.8105  0.5000  1
]