data_[Zr8Cr16Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [9.3037]
_cell_length_b [5.3632]
_cell_length_c [13.3409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2Cr4(AuC)3]
_chemical_formula_sum '[Zr8 Cr16 Au12 C12]'
_cell_volume [646.7785]
_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
[
  Zr  Zr0  8  0.0415  0.4209  0.3897  1
  Cr  Cr1  8  0.1074  0.0948  0.5681  1
  Cr  Cr2  8  0.2321  0.9229  0.4317  1
  Au  Au3  8  0.2210  0.3647  0.7523  1
  Au  Au4  4  0.0000  0.0237  0.7500  1
  C  C5  8  0.0864  0.2404  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]