data_[Lu8W16Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  W  2.3600  1.3500  0.7667
  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 [9.6777]
_cell_length_b [5.6112]
_cell_length_c [13.9664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2W4(AuC)3]
_chemical_formula_sum '[Lu8 W16 Au12 C12]'
_cell_volume [737.3034]
_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  0.0387  0.4209  0.8834  1
  W  W1  8  0.1085  0.0960  0.0731  1
  W  W2  8  0.2314  0.0768  0.4267  1
  Au  Au3  8  0.2194  0.3656  0.2522  1
  Au  Au4  4  0.0000  0.0221  0.2500  1
  C  C5  8  0.0836  0.2498  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]