data_[Lu8Nb16Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Nb  1.6000  1.4500  0.8200
  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 [9.8076]
_cell_length_b [5.6582]
_cell_length_c [14.4445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Nb4(AuC)3]
_chemical_formula_sum '[Lu8 Nb16 Au12 C12]'
_cell_volume [779.7493]
_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
[
  Lu  Lu0  8  0.0408  0.4200  0.3863  1
  Nb  Nb1  8  0.1093  0.0937  0.5778  1
  Nb  Nb2  8  0.2284  0.0792  0.9221  1
  Au  Au3  8  0.2248  0.3636  0.7525  1
  Au  Au4  4  0.0000  0.0370  0.7500  1
  C  C5  8  0.0847  0.2459  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]