data_[Zn4Ni18O26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [9.7676]
_cell_length_b [2.9090]
_cell_length_c [16.4199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2Ni9O13]
_chemical_formula_sum '[Zn4 Ni18 O26]'
_cell_volume [460.8515]
_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
[
  Zn  Zn0  4  0.2162  0.0000  0.2291  1
  Ni  Ni1  4  0.0065  0.0000  0.6655  1
  Ni  Ni2  4  0.0637  0.0000  0.8764  1
  Ni  Ni3  4  0.1465  0.5000  0.0410  1
  Ni  Ni4  4  0.2492  0.0000  0.5813  1
  Ni  Ni5  2  0.0000  0.5000  0.5000  1
  O  O6  4  0.0839  0.5000  0.1470  1
  O  O7  4  0.1158  0.5000  0.6115  1
  O  O8  4  0.1266  0.5000  0.3107  1
  O  O9  4  0.1287  0.0000  0.4627  1
  O  O10  4  0.1391  0.0000  0.7710  1
  O  O11  4  0.2039  0.5000  0.9299  1
  O  O12  2  0.0000  0.0000  0.0000  1
]