data_[K12Li4Ni4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5776]
_cell_length_b [9.4009]
_cell_length_c [5.7909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3LiNiO4]
_chemical_formula_sum '[K12 Li4 Ni4 O16]'
_cell_volume [557.9304]
_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
[
  K  K0  8  0.1559  0.0912  0.4915  1
  K  K1  4  0.0000  0.4047  0.2500  1
  Li  Li2  4  0.0000  0.2665  0.7500  1
  Ni  Ni3  4  0.2500  0.2500  0.0000  1
  O  O4  8  0.0943  0.1814  0.0375  1
  O  O5  8  0.1638  0.3640  0.7650  1
]