data_[Al18V6Ga36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2859]
_cell_length_b [9.2859]
_cell_length_c [14.0955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Al3VGa6]
_chemical_formula_sum '[Al18 V6 Ga36]'
_cell_volume [1052.5980]
_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
[
  Al  Al0  18  0.0177  0.5028  0.3215  1
  V  V1  3  -0.0000  0.0000  0.5000  1
  V  V2  3  0.0000  0.0000  0.0000  1
  Ga  Ga3  18  0.0248  0.5044  0.0933  1
  Ga  Ga4  18  0.0766  0.8932  0.8409  1
]