data_[Lu16Mn8Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Mn  1.5500  1.4000  0.6483
  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 [9.8430]
_cell_length_b [5.6588]
_cell_length_c [16.0381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Mn2(AuC)3]
_chemical_formula_sum '[Lu16 Mn8 Au12 C12]'
_cell_volume [878.3330]
_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  0.1100  0.0661  0.5885  1
  Lu  Lu1  8  0.2134  0.0931  0.9116  1
  Mn  Mn2  8  0.0817  0.4054  0.4558  1
  Au  Au3  8  0.2326  0.3485  0.7491  1
  Au  Au4  4  0.0000  0.0451  0.7500  1
  C  C5  8  0.0750  0.2752  0.0004  1
  C  C6  4  0.2500  0.2500  0.5000  1
]