data_[Nb16Cr28Si32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.2311]
_cell_length_b [4.8600]
_cell_length_c [15.9170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nb4Cr7Si8]
_chemical_formula_sum '[Nb16 Cr28 Si32]'
_cell_volume [1023.5075]
_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  0.0419  0.7500  0.9079  1
  Nb  Nb1  4  0.0679  0.2500  0.8016  1
  Nb  Nb2  4  0.1332  0.7500  0.4576  1
  Nb  Nb3  4  0.2493  0.7500  0.0267  1
  Cr  Cr4  8  0.0613  0.0077  0.6212  1
  Cr  Cr5  8  0.1366  0.0086  0.1764  1
  Cr  Cr6  4  0.1267  0.2500  0.0038  1
  Cr  Cr7  4  0.1358  0.2500  0.3446  1
  Cr  Cr8  4  0.1890  0.7500  0.7505  1
  Si  Si9  8  0.2158  0.0022  0.8808  1
  Si  Si10  4  0.0031  0.7500  0.7478  1
  Si  Si11  4  0.0502  0.2500  0.4819  1
  Si  Si12  4  0.0510  0.7500  0.0666  1
  Si  Si13  4  0.0868  0.7500  0.3020  1
  Si  Si14  4  0.2089  0.2500  0.6929  1
  Si  Si15  4  0.2262  0.7500  0.6026  1
]