data_[Li4Cu8]
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 [9.6450]
_cell_length_b [2.6166]
_cell_length_c [6.2259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCu2]
_chemical_formula_sum '[Li4 Cu8]'
_cell_volume [151.2069]
_cell_formula_units_Z [4]
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  0.2756  0.0000  0.0466  1.0
  Li  Li1  2  0.4475  0.5000  0.3955  1.0
  Cu  Cu2  2  0.0050  0.0000  0.0001  1.0
  Cu  Cu3  2  0.1079  0.5000  0.7201  1.0
  Cu  Cu4  2  0.1677  0.5000  0.3350  1.0
  Cu  Cu5  2  0.3297  0.0000  0.6694  1.0
]