data_[Al2V6Ni14]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9822]
_cell_length_b [8.6098]
_cell_length_c [4.5100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlV3Ni7]
_chemical_formula_sum '[Al2 V6 Ni14]'
_cell_volume [279.9391]
_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  2  0.0000  0.5000  0.5000  1
  V  V1  4  0.0000  0.2340  0.0000  1
  V  V2  2  0.0000  0.0000  0.5000  1
  Ni  Ni3  8  0.1759  0.2318  0.6828  1
  Ni  Ni4  4  0.1823  0.0000  0.0764  1
  Ni  Ni5  2  0.0000  0.5000  0.0000  1
]