data_[Al4V4Ni14]
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 [Cmmm]
_cell_length_a [5.0233]
_cell_length_b [8.4327]
_cell_length_c [6.6655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Al2V2Ni7]
_chemical_formula_sum '[Al4 V4 Ni14]'
_cell_volume [282.3509]
_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  0.0000  0.2831  0.0000  1
  V  V1  4  0.2375  0.0000  0.5000  1
  Ni  Ni2  8  0.2500  0.2500  0.3113  1
  Ni  Ni3  4  0.0000  0.5000  0.2115  1
  Ni  Ni4  2  0.0000  0.0000  0.0000  1
]