data_[Li2Al8Ni14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1921]
_cell_length_b [4.2258]
_cell_length_c [8.8556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiAl4Ni7]
_chemical_formula_sum '[Li2 Al8 Ni14]'
_cell_volume [304.5582]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.0968  0.5000  0.7766  1
  Al  Al2  4  0.2377  0.5000  0.3159  1
  Ni  Ni3  4  0.0532  0.0000  0.3563  1
  Ni  Ni4  4  0.1427  0.5000  0.5255  1
  Ni  Ni5  4  0.2116  0.0000  0.9187  1
  Ni  Ni6  2  0.0000  0.5000  0.0000  1
]