data_[Li3Zn4Cu2]
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 [P-3m1]
_cell_length_a [4.2295]
_cell_length_b [4.2295]
_cell_length_c [7.8269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li3(Zn2Cu)2]
_chemical_formula_sum '[Li3 Zn4 Cu2]'
_cell_volume [121.2526]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.4503  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.0000  0.0000  0.3305  1.0
  Zn  Zn3  2  0.3333  0.6667  0.1201  1.0
  Cu  Cu4  2  0.3333  0.6667  0.7880  1.0
]