data_[Ti4Zn8Au2]
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 [P2_1/m]
_cell_length_a [5.3709]
_cell_length_b [4.9204]
_cell_length_c [8.7500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti2Zn4Au]
_chemical_formula_sum '[Ti4 Zn8 Au2]'
_cell_volume [222.1849]
_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  2  0.0813  0.7500  0.4304  1.0
  Ti  Ti1  2  0.3402  0.2500  0.9889  1.0
  Zn  Zn2  4  0.3990  0.5021  0.7196  1.0
  Zn  Zn3  2  0.1918  0.7500  0.1172  1.0
  Zn  Zn4  2  0.3618  0.2500  0.4602  1.0
  Au  Au5  2  0.0115  0.7500  0.8040  1.0
]