data_[Li6Zn2Cu6]
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 [P6_3/m]
_cell_length_a [6.9688]
_cell_length_b [6.9688]
_cell_length_c [4.3605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Li3ZnCu3]
_chemical_formula_sum '[Li6 Zn2 Cu6]'
_cell_volume [183.3888]
_cell_formula_units_Z [2]
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  6  0.0876  0.4594  0.7500  1.0
  Zn  Zn1  2  0.3333  0.6667  0.2500  1.0
  Cu  Cu2  6  0.0532  0.2326  0.2500  1.0
]