data_[Mn16Nb8Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [9.1102]
_cell_length_b [5.2406]
_cell_length_c [13.5199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn4Nb2(AuC)3]
_chemical_formula_sum '[Mn16 Nb8 Au12 C12]'
_cell_volume [629.3138]
_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
[
  Mn  Mn0  8  0.1071  0.0852  0.0726  1
  Mn  Mn1  8  0.2269  0.0827  0.4270  1
  Nb  Nb2  8  0.0519  0.4174  0.9061  1
  Au  Au3  8  0.1917  0.3911  0.2503  1
  Au  Au4  4  0.0000  0.0341  0.7500  1
  C  C5  8  0.0854  0.2438  0.5001  1
  C  C6  4  0.2500  0.2500  0.0000  1
]