data_[Lu8Ti16Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ti  1.5400  1.4000  0.8517
  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 [9.6562]
_cell_length_b [5.5761]
_cell_length_c [14.1541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Ti4(AuC)3]
_chemical_formula_sum '[Lu8 Ti16 Au12 C12]'
_cell_volume [740.9295]
_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  0.0417  0.5808  0.8874  1
  Ti  Ti1  8  0.1095  0.0919  0.5765  1
  Ti  Ti2  8  0.2291  0.0797  0.9233  1
  Au  Au3  8  0.2392  0.3466  0.7489  1
  Au  Au4  4  0.0000  0.0651  0.7500  1
  C  C5  8  0.0864  0.2403  0.9996  1
  C  C6  4  0.2500  0.2500  0.5000  1
]