data_[Al8V8]
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 [P2_12_12_1]
_cell_length_a [4.7630]
_cell_length_b [5.3813]
_cell_length_c [9.0011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [AlV]
_chemical_formula_sum '[Al8 V8]'
_cell_volume [230.7074]
_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
[
  Al  Al0  4  0.0139  0.1160  0.7621  1.0
  Al  Al1  4  0.1876  0.3775  0.4891  1.0
  V  V2  4  0.0138  0.6219  0.2412  1.0
  V  V3  4  0.1933  0.8699  0.5220  1.0
]