data_[Li4Al4Cu6]
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 [C2/m]
_cell_length_a [11.2639]
_cell_length_b [2.7034]
_cell_length_c [6.6077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Al2Cu3]
_chemical_formula_sum '[Li4 Al4 Cu6]'
_cell_volume [190.2362]
_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  4  0.1395  0.0000  0.4190  1.0
  Al  Al1  4  0.0835  0.5000  0.7403  1.0
  Cu  Cu2  4  0.2143  0.5000  0.1448  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
]