data_[Li4Zn40Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.1318]
_cell_length_b [12.3254]
_cell_length_c [12.4506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Li(Zn5Cu)2]
_chemical_formula_sum '[Li4 Zn40 Cu8]'
_cell_volume [787.5172]
_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
  Zn  Zn1  16  0.0000  0.1092  0.3947  1.0
  Zn  Zn2  16  0.0000  0.1760  0.1678  1.0
  Zn  Zn3  8  0.2500  0.0000  0.2500  1.0
  Cu  Cu4  8  0.2500  0.2500  0.0000  1.0
]