data_[Zn9Ni21O30]
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 [R-3m]
_cell_length_a [3.0099]
_cell_length_b [3.0099]
_cell_length_c [73.5093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zn3Ni7O10]
_chemical_formula_sum '[Zn9 Ni21 O30]'
_cell_volume [576.7197]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3999  1.0
  Zn  Zn1  3  -0.0000  -0.0000  0.5000  1.0
  Ni  Ni2  6  0.0000  0.0000  0.1002  1.0
  Ni  Ni3  6  0.0000  0.0000  0.2002  1.0
  Ni  Ni4  6  0.0000  0.0000  0.3004  1.0
  Ni  Ni5  3  0.0000  0.0000  0.0000  1.0
  O  O6  6  0.0000  0.0000  0.0494  1.0
  O  O7  6  0.0000  0.0000  0.1495  1.0
  O  O8  6  0.0000  0.0000  0.2495  1.0
  O  O9  6  0.0000  0.0000  0.3498  1.0
  O  O10  6  0.0000  0.0000  0.4500  1.0
]