data_[Al2V4Ni14]
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 [6.2897]
_cell_length_b [12.2491]
_cell_length_c [3.7333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [AlV2Ni7]
_chemical_formula_sum '[Al2 V4 Ni14]'
_cell_volume [287.6296]
_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  0.0000  0.0000  1
  V  V1  4  0.0000  0.2992  0.5000  1
  Ni  Ni2  8  0.1866  0.1021  0.5000  1
  Ni  Ni3  4  0.0000  0.1966  0.0000  1
  Ni  Ni4  2  0.0000  0.5000  0.5000  1
]