data_[Nb16Al12Cr8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2043]
_cell_length_b [5.3115]
_cell_length_c [13.6235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb4Al3Cr2C3]
_chemical_formula_sum '[Nb16 Al12 Cr8 C12]'
_cell_volume [648.8068]
_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  0.1145  0.0830  0.0924  1
  Nb  Nb1  8  0.2189  0.0831  0.4076  1
  Al  Al2  8  0.1482  0.4341  0.2496  1
  Al  Al3  4  0.0000  0.1219  0.7500  1
  Cr  Cr4  8  0.0563  0.4172  0.9205  1
  C  C5  8  0.0800  0.2598  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]