data_[La8Ni8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.7112]
_cell_length_b [10.9270]
_cell_length_c [5.4681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LaNiO3]
_chemical_formula_sum '[La8 Ni8 O24]'
_cell_volume [460.7407]
_cell_formula_units_Z [8]
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  4  0.2468  0.0000  0.5000  1.0
  La  La1  4  0.2500  0.2500  0.0000  1.0
  Ni  Ni2  4  0.0000  0.2507  0.5000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  2  0.0000  0.5000  0.0000  1.0
  O  O5  8  0.0000  0.1286  0.2577  1.0
  O  O6  8  0.0000  0.3741  0.2545  1.0
  O  O7  4  0.2408  0.5000  0.0000  1.0
  O  O8  4  0.2500  0.2500  0.5000  1.0
]