data_[Li8Zr2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0970]
_cell_length_b [8.8581]
_cell_length_c [5.0947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4ZrNiO6]
_chemical_formula_sum '[Li8 Zr2 Ni2 O12]'
_cell_volume [217.3507]
_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  2  0.0000  0.0250  0.5000  1
  Li  Li1  2  0.0000  0.3274  0.5000  1
  Li  Li2  2  0.0000  0.4998  0.0000  1
  Li  Li3  2  0.0000  0.6527  0.5000  1
  Zr  Zr4  2  0.0000  0.8347  0.0000  1
  Ni  Ni5  2  0.0000  0.1665  0.0000  1
  O  O6  4  0.2265  0.0135  0.2370  1
  O  O7  4  0.2289  0.1681  0.7735  1
  O  O8  4  0.2296  0.3154  0.2342  1
]