data_[Nb16Cr8Si20]
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 [Ibam]
_cell_length_a [7.8741]
_cell_length_b [16.2895]
_cell_length_c [4.9468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nb4Cr2Si5]
_chemical_formula_sum '[Nb16 Cr8 Si20]'
_cell_volume [634.5101]
_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  8  0.1132  0.1433  0.5000  1
  Nb  Nb1  8  0.2440  0.4366  0.5000  1
  Cr  Cr2  8  0.0000  0.3065  0.2500  1
  Si  Si3  8  0.0824  0.4294  0.0000  1
  Si  Si4  8  0.2063  0.7820  0.5000  1
  Si  Si5  4  0.0000  0.0000  0.2500  1
]