data_[Li12Al2Cu10]
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 [9.0425]
_cell_length_b [7.8416]
_cell_length_c [4.5289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6AlCu5]
_chemical_formula_sum '[Li12 Al2 Cu10]'
_cell_volume [316.5245]
_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  0.2415  0.3304  0.7487  1
  Li  Li1  4  0.2426  0.5000  0.2576  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Cu  Cu3  4  0.0000  0.1678  0.5000  1
  Cu  Cu4  4  0.0000  0.3338  0.0000  1
  Cu  Cu5  2  0.0000  0.5000  0.5000  1
]