data_[Li7Zn1Cd2]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5212]
_cell_length_b [4.5212]
_cell_length_c [10.5647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Li7ZnCd2]
_chemical_formula_sum '[Li7 Zn1 Cd2]'
_cell_volume [187.0269]
_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  1  0.0000  0.0000  0.3346  1
  Li  Li1  1  0.0000  0.0000  0.7725  1
  Li  Li2  1  0.3333  0.6667  0.1440  1
  Li  Li3  1  0.3333  0.6667  0.3917  1
  Li  Li4  1  0.3333  0.6667  0.9077  1
  Li  Li5  1  0.6667  0.3333  0.5311  1
  Li  Li6  1  0.6667  0.3333  0.9605  1
  Zn  Zn7  1  0.0000  0.0000  0.0577  1
  Cd  Cd8  1  0.3333  0.6667  0.6504  1
  Cd  Cd9  1  0.6667  0.3333  0.2334  1
]