data_[Mg3Zn6Ni12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [5.8381]
_cell_length_b [5.8381]
_cell_length_c [15.6179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [MgZn2(NiO2)4]
_chemical_formula_sum '[Mg3 Zn6 Ni12 O24]'
_cell_volume [461.0016]
_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
[
  Mg  Mg0  3  -0.0000  -0.0000  0.5000  1
  Zn  Zn1  6  0.0000  0.0000  0.3452  1
  Ni  Ni2  9  0.0000  0.5000  0.5000  1
  Ni  Ni3  3  -0.0000  -0.0000  0.0000  1
  O  O4  18  0.0027  0.5014  0.7532  1
  O  O5  6  0.0000  0.0000  0.2257  1
]