data_[Li2Al16Ni4]
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 [7.6899]
_cell_length_b [10.4525]
_cell_length_c [4.5010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Al4Ni)2]
_chemical_formula_sum '[Li2 Al16 Ni4]'
_cell_volume [353.7833]
_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  0.5000  1
  Al  Al1  8  0.2032  0.1274  0.1002  1
  Al  Al2  4  0.0000  0.2657  0.5000  1
  Al  Al3  4  0.1249  0.5000  0.2955  1
  Ni  Ni4  4  0.0000  0.3080  0.0000  1
]