data_[Li4Zn2Ni6O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8671]
_cell_length_b [2.9449]
_cell_length_c [5.9369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Zn(NiO2)3]
_chemical_formula_sum '[Li4 Zn2 Ni6 O12]'
_cell_volume [218.6045]
_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  0.1700  0.0000  0.3423  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni2  4  0.1684  0.0000  0.8295  1.0
  Ni  Ni3  2  0.0000  0.5000  0.5000  1.0
  O  O4  4  0.0005  0.0000  0.7456  1.0
  O  O5  4  0.1624  0.5000  0.5963  1.0
  O  O6  4  0.1668  0.5000  0.0642  1.0
]