data_[Ti4Zn6Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3766]
_cell_length_b [3.1785]
_cell_length_c [7.6157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Zn3Au2]
_chemical_formula_sum '[Ti4 Zn6 Au4]'
_cell_volume [226.9733]
_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  0.0834  0.5000  0.2820  1.0
  Zn  Zn1  4  0.2038  0.5000  0.8739  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.1383  0.0000  0.5873  1.0
]