data_[Li8Ti4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8370]
_cell_length_b [3.1659]
_cell_length_c [9.1301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2TiAu]
_chemical_formula_sum '[Li8 Ti4 Au4]'
_cell_volume [256.7125]
_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
[
  Li  Li0  2  0.2254  0.5000  0.5714  1
  Li  Li1  2  0.2493  0.0000  0.3460  1
  Li  Li2  2  0.2549  0.5000  0.1073  1
  Li  Li3  2  0.4947  0.0000  0.2459  1
  Ti  Ti4  2  0.0102  0.5000  0.7589  1
  Ti  Ti5  2  0.2556  0.0000  0.8385  1
  Au  Au6  2  0.0105  0.0000  0.0090  1
  Au  Au7  2  0.4867  0.5000  0.4956  1
]