data_[Ti2Al1Ga1Fe2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2243]
_cell_length_b [4.2243]
_cell_length_c [5.9775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ti2AlGa(FeRu)2]
_chemical_formula_sum '[Ti2 Al1 Ga1 Fe2 Ru2]'
_cell_volume [106.6691]
_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  1  0.0000  0.0000  0.5000  1
  Ti  Ti1  1  0.5000  0.5000  0.0000  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  Ga  Ga3  1  0.5000  0.5000  0.5000  1
  Fe  Fe4  2  0.0000  0.5000  0.7508  1
  Ru  Ru5  2  0.0000  0.5000  0.2475  1
]