data_[Tb2Ti1Ga4Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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-4m2]
_cell_length_a [4.1628]
_cell_length_b [4.1628]
_cell_length_c [11.5269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tb2TiGa4Au3]
_chemical_formula_sum '[Tb2 Ti1 Ga4 Au3]'
_cell_volume [199.7502]
_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
[
  Tb  Tb0  2  0.0000  0.5000  0.7450  1.0
  Ti  Ti1  1  0.5000  0.5000  0.5000  1.0
  Ga  Ga2  2  0.0000  0.5000  0.3592  1.0
  Ga  Ga3  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga4  1  0.5000  0.5000  0.0000  1.0
  Au  Au5  2  0.0000  0.5000  0.1405  1.0
  Au  Au6  1  0.0000  0.0000  0.5000  1.0
]