data_[Nb24Al8Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [14.1317]
_cell_length_b [5.0970]
_cell_length_c [9.8245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb3AlGa]
_chemical_formula_sum '[Nb24 Al8 Ga8]'
_cell_volume [697.1417]
_cell_formula_units_Z [8]
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
[
  Nb  Nb0  8  0.0541  0.2499  0.5116  1
  Nb  Nb1  8  0.0962  0.0244  0.2663  1
  Nb  Nb2  8  0.2002  0.4603  0.7633  1
  Al  Al3  8  0.1533  0.2481  0.0180  1
  Ga  Ga4  4  0.0000  0.4782  0.7500  1
  Ga  Ga5  4  0.2500  0.2500  0.5000  1
]