data_[Nb6Al18Ga36]
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 [R-3c]
_cell_length_a [11.5505]
_cell_length_b [11.5505]
_cell_length_c [9.4816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Nb(AlGa2)3]
_chemical_formula_sum '[Nb6 Al18 Ga36]'
_cell_volume [1095.4925]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.0000  1.0
  Al  Al1  18  0.0000  0.1396  0.7500  1.0
  Ga  Ga2  36  0.0698  0.4807  0.1207  1.0
]