data_[Li12Zn8Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5472]
_cell_length_b [4.0899]
_cell_length_c [6.5365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Zn2Ni]
_chemical_formula_sum '[Li12 Zn8 Ni4]'
_cell_volume [357.1658]
_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  0.0554  0.0000  0.8364  1.0
  Li  Li1  4  0.1039  0.5000  0.5526  1.0
  Li  Li2  4  0.2024  0.5000  0.9418  1.0
  Zn  Zn3  4  0.0651  0.5000  0.1607  1.0
  Zn  Zn4  4  0.2383  0.0000  0.6433  1.0
  Ni  Ni5  4  0.1574  0.0000  0.2735  1.0
]