data_[Li4Zn6Ni6]
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 [Immm]
_cell_length_a [2.8083]
_cell_length_b [4.1603]
_cell_length_c [17.1106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2(ZnNi)3]
_chemical_formula_sum '[Li4 Zn6 Ni6]'
_cell_volume [199.9088]
_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  4  0.0000  0.5000  0.2531  1.0
  Zn  Zn1  4  0.0000  0.0000  0.3766  1.0
  Zn  Zn2  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni3  4  0.0000  0.0000  0.1215  1.0
  Ni  Ni4  2  0.0000  0.5000  0.0000  1.0
]