data_[Mn16Cr8Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  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 [8.8019]
_cell_length_b [5.0782]
_cell_length_c [13.3983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn4Cr2(AuC)3]
_chemical_formula_sum '[Mn16 Cr8 Au12 C12]'
_cell_volume [584.4768]
_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  0.1095  0.0820  0.5801  1
  Mn  Mn1  8  0.2231  0.0848  0.9202  1
  Cr  Cr2  8  0.0605  0.4145  0.4266  1
  Au  Au3  8  0.1644  0.4207  0.7499  1
  Au  Au4  4  0.0000  0.0852  0.2500  1
  C  C5  8  0.0830  0.2508  0.9998  1
  C  C6  4  0.2500  0.2500  0.5000  1
]