data_[Li18Al3Cu6]
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 [R-3m]
_cell_length_a [4.4731]
_cell_length_b [4.4731]
_cell_length_c [25.5573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li6AlCu2]
_chemical_formula_sum '[Li18 Al3 Cu6]'
_cell_volume [442.8567]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1928  1.0
  Li  Li1  6  0.0000  0.0000  0.2994  1.0
  Li  Li2  6  0.0000  0.0000  0.4129  1.0
  Al  Al3  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu4  6  0.0000  0.0000  0.0915  1.0
]