data_[La2Zn1Ni1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [P-1]
_cell_length_a [5.4618]
_cell_length_b [5.4675]
_cell_length_c [5.5151]
_cell_angle_alpha [61.1205]
_cell_angle_beta [60.7011]
_cell_angle_gamma [60.4902]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2ZnNiO6]
_chemical_formula_sum '[La2 Zn1 Ni1 O6]'
_cell_volume [118.4737]
_cell_formula_units_Z [1]
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
[
  La  La0  2  0.2505  0.2548  0.2425  1.0
  Zn  Zn1  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.1940  0.2887  0.7978  1.0
  O  O4  2  0.2386  0.8360  0.6840  1.0
  O  O5  2  0.2919  0.7254  0.1905  1.0
]