data_[Al14V10]
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 [C2/m]
_cell_length_a [9.1840]
_cell_length_b [4.1483]
_cell_length_c [10.1182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al7V5]
_chemical_formula_sum '[Al14 V10]'
_cell_volume [362.9050]
_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  4  0.0567  0.0000  0.7331  1
  Al  Al1  4  0.1821  0.5000  0.9223  1
  Al  Al2  4  0.2342  0.0000  0.2963  1
  Al  Al3  2  0.0000  0.5000  0.5000  1
  V  V4  4  0.1151  0.5000  0.1514  1
  V  V5  4  0.1865  0.0000  0.5344  1
  V  V6  2  0.0000  0.0000  0.0000  1
]