data_[K4Ni4O8]
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 [P2_1/c]
_cell_length_a [6.3353]
_cell_length_b [8.1076]
_cell_length_c [5.4624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KNiO2]
_chemical_formula_sum '[K4 Ni4 O8]'
_cell_volume [280.5546]
_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  4  0.3527  0.5929  0.7430  1.0
  Ni  Ni1  4  0.1351  0.2452  0.7616  1.0
  O  O2  4  0.0570  0.7456  0.4834  1.0
  O  O3  4  0.3313  0.2499  0.5070  1.0
]