data_[Ti2Ga2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8563]
_cell_length_b [6.0355]
_cell_length_c [6.4699]
_cell_angle_alpha [77.6171]
_cell_angle_beta [75.6986]
_cell_angle_gamma [74.9893]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiGaAu3]
_chemical_formula_sum '[Ti2 Ga2 Au6]'
_cell_volume [175.1767]
_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  0.2265  0.2905  0.6023  1.0
  Ga  Ga1  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  1  0.0000  0.5000  0.0000  1.0
  Au  Au3  2  0.1794  0.7841  0.6010  1.0
  Au  Au4  2  0.3691  0.6021  0.2068  1.0
  Au  Au5  2  0.4216  0.0951  0.2044  1.0
]