data_[Ti4Ga4Au3]
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 [P2/m]
_cell_length_a [8.0120]
_cell_length_b [2.8260]
_cell_length_c [9.1174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ti4Ga4Au3]
_chemical_formula_sum '[Ti4 Ga4 Au3]'
_cell_volume [193.4878]
_cell_formula_units_Z [1]
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  0.0551  0.5000  0.2387  1
  Ti  Ti1  2  0.4479  0.5000  0.2767  1
  Ga  Ga2  2  0.2782  0.0000  0.7758  1
  Ga  Ga3  2  0.3182  0.0000  0.4733  1
  Au  Au4  2  0.1923  0.0000  0.0342  1
  Au  Au5  1  0.0000  0.0000  0.5000  1
]