data_[Ti12Co2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.0645]
_cell_length_b [13.3818]
_cell_length_c [7.2850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ti6CoAu2]
_chemical_formula_sum '[Ti12 Co2 Au4]'
_cell_volume [298.7538]
_cell_formula_units_Z [2]
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
[
  Ti  Ti0  4  0.0000  0.1256  0.8855  1
  Ti  Ti1  4  0.5000  0.1814  0.2027  1
  Ti  Ti2  2  0.0000  0.0000  0.2399  1
  Ti  Ti3  2  0.5000  0.0000  0.5815  1
  Co  Co4  2  0.5000  0.0000  0.9688  1
  Au  Au5  4  0.0000  0.1706  0.5166  1
]