data_[K8Ni6O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [9.0672]
_cell_length_b [6.1678]
_cell_length_c [7.9146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K4(NiO2)3]
_chemical_formula_sum '[K8 Ni6 O12]'
_cell_volume [442.4860]
_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
[
  K  K0  4  0.1522  0.5000  0.8910  1.0
  K  K1  4  0.1752  0.5000  0.3743  1.0
  Ni  Ni2  4  0.0339  0.0000  0.3308  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.0665  0.2000  0.1576  1.0
  O  O5  4  0.0000  0.1968  0.5000  1.0
]