data_[Lu16Mo8Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Mo  2.1600  1.4500  0.7750
  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 [10.1067]
_cell_length_b [5.8897]
_cell_length_c [14.2530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Mo2(AuC)3]
_chemical_formula_sum '[Lu16 Mo8 Au12 C12]'
_cell_volume [824.8422]
_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  0.1169  0.0685  0.6029  1
  Lu  Lu1  8  0.2098  0.0870  0.8974  1
  Mo  Mo2  8  0.0688  0.4057  0.4353  1
  Au  Au3  8  0.1407  0.4348  0.7496  1
  Au  Au4  4  0.0000  0.1503  0.2500  1
  C  C5  8  0.0763  0.2699  0.9993  1
  C  C6  4  0.2500  0.2500  0.5000  1
]