data_[Ta8Cr16Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [9.0878]
_cell_length_b [5.2482]
_cell_length_c [13.3347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Cr4(AuC)3]
_chemical_formula_sum '[Ta8 Cr16 Au12 C12]'
_cell_volume [619.2285]
_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
[
  Ta  Ta0  8  0.0510  0.4170  0.9037  1
  Cr  Cr1  8  0.1076  0.0848  0.0727  1
  Cr  Cr2  8  0.2264  0.0825  0.4273  1
  Au  Au3  8  0.1948  0.3890  0.2501  1
  Au  Au4  4  0.0000  0.0274  0.7500  1
  C  C5  8  0.0841  0.2477  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]