data_[Al26V4]
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
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.7182]
_cell_length_b [9.7182]
_cell_length_c [5.0479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Al13V2]
_chemical_formula_sum '[Al26 V4]'
_cell_volume [476.7341]
_cell_formula_units_Z [2]
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  8  0.0387  0.6348  0.5000  1
  Al  Al1  8  0.0701  0.7371  0.0000  1
  Al  Al2  8  0.1738  0.1738  0.2530  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  V  V4  4  0.0870  0.9130  0.5000  1
]