data_[Ti20Nb4Al8Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.8478]
_cell_length_b [6.8478]
_cell_length_c [13.3286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ti5NbAl2Ga]
_chemical_formula_sum '[Ti20 Nb4 Al8 Ga4]'
_cell_volume [625.0187]
_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
[
  Ti  Ti0  16  0.2112  0.2888  0.3620  1
  Ti  Ti1  4  0.0000  0.0000  0.0000  1
  Nb  Nb2  4  0.0000  0.5000  0.2500  1
  Al  Al3  8  0.1198  0.3802  0.0000  1
  Ga  Ga4  4  0.0000  0.0000  0.2500  1
]