data_[Ba4Zn4Ni4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Cmcm]
_cell_length_a [5.6166]
_cell_length_b [10.5286]
_cell_length_c [5.6197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaZnNiO3]
_chemical_formula_sum '[Ba4 Zn4 Ni4 O12]'
_cell_volume [332.3194]
_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
[
  Ba  Ba0  4  0.0000  0.2395  0.7500  1.0
  Zn  Zn1  4  0.0000  0.0654  0.2500  1.0
  Ni  Ni2  4  0.0000  0.4473  0.2500  1.0
  O  O3  8  0.2498  0.0000  0.0000  1.0
  O  O4  4  0.0000  0.2543  0.2500  1.0
]