data_[Nb8Cr16]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.8908]
_cell_length_b [4.8908]
_cell_length_c [15.9925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [NbCr2]
_chemical_formula_sum '[Nb8 Cr16]'
_cell_volume [331.2877]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.0946  1
  Nb  Nb1  4  0.3333  0.6667  0.6565  1
  Cr  Cr2  6  0.0000  0.5000  0.0000  1
  Cr  Cr3  6  0.1640  0.3280  0.2500  1
  Cr  Cr4  4  0.3333  0.6667  0.1235  1
]