data_[Ta16Ti8Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  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 [9.3718]
_cell_length_b [5.4065]
_cell_length_c [14.2245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Ti2(AuC)3]
_chemical_formula_sum '[Ta16 Ti8 Au12 C12]'
_cell_volume [702.9872]
_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  0.1121  0.0865  0.5863  1
  Ta  Ta1  8  0.2226  0.0821  0.9138  1
  Ti  Ti2  8  0.0533  0.4177  0.4147  1
  Au  Au3  8  0.1644  0.4207  0.7508  1
  Au  Au4  4  0.0000  0.0868  0.2500  1
  C  C5  8  0.0833  0.7495  0.5000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]