data_[Li6Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9521]
_cell_length_b [2.5781]
_cell_length_c [6.3156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCu]
_chemical_formula_sum '[Li6 Cu6]'
_cell_volume [156.7674]
_cell_formula_units_Z [6]
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  0.0470  0.0000  0.6164  1.0
  Li  Li1  2  0.1740  0.5000  0.3281  1.0
  Li  Li2  2  0.2260  0.5000  0.9500  1.0
  Cu  Cu3  2  0.3318  0.0000  0.6630  1.0
  Cu  Cu4  2  0.3996  0.0000  0.2816  1.0
  Cu  Cu5  2  0.4884  0.5000  0.9943  1.0
]