data_[Li16Al2Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.0732]
_cell_length_b [10.7344]
_cell_length_c [4.3313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li8AlCu2]
_chemical_formula_sum '[Li16 Al2 Cu4]'
_cell_volume [375.3579]
_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  8  0.1711  0.1340  0.0000  1
  Li  Li1  4  0.0000  0.2587  0.5000  1
  Li  Li2  4  0.1635  0.5000  0.5000  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Cu  Cu4  4  0.0000  0.3894  0.0000  1
]