data_[Nb16Cr8Au12C12]
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
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3298]
_cell_length_b [5.3788]
_cell_length_c [13.9201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb4Cr2(AuC)3]
_chemical_formula_sum '[Nb16 Cr8 Au12 C12]'
_cell_volume [681.2251]
_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  0.1124  0.0816  0.0888  1
  Nb  Nb1  8  0.2194  0.0842  0.4111  1
  Cr  Cr2  8  0.0622  0.4147  0.9313  1
  Au  Au3  8  0.1519  0.4327  0.2496  1
  Au  Au4  4  0.0000  0.1121  0.7500  1
  C  C5  8  0.0813  0.2572  0.5002  1
  C  C6  4  0.2500  0.2500  0.0000  1
]