data_[Mg2Zn4Ni2O8]
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 [I-4m2]
_cell_length_a [4.2785]
_cell_length_b [4.2785]
_cell_length_c [8.6051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [MgZn2NiO4]
_chemical_formula_sum '[Mg2 Zn4 Ni2 O8]'
_cell_volume [157.5203]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.7500  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.0000  0.5000  0.2500  1.0
  Ni  Ni3  2  0.0000  0.0000  0.5000  1.0
  O  O4  4  0.0000  0.0000  0.2543  1.0
  O  O5  4  0.0000  0.5000  0.5040  1.0
]