data_[Li4Cu40Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.8595]
_cell_length_b [11.6832]
_cell_length_c [11.8511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Li(Cu5Si)2]
_chemical_formula_sum '[Li4 Cu40 Si8]'
_cell_volume [672.8430]
_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  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  16  0.0000  0.1079  0.3902  1.0
  Cu  Cu2  16  0.0000  0.1715  0.1750  1.0
  Si  Si3  8  0.2500  0.0000  0.2500  1.0
  Cu  Cu4  8  0.2500  0.2500  0.0000  1.0
]