data_[La4Fe1Ni3O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  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 [5.4632]
_cell_length_b [5.5755]
_cell_length_c [7.7981]
_cell_angle_alpha [90.0204]
_cell_angle_beta [91.5006]
_cell_angle_gamma [90.0492]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La4Fe(NiO4)3]
_chemical_formula_sum '[La4 Fe1 Ni3 O12]'
_cell_volume [237.4484]
_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  0.0023  0.4997  0.7531  1.0
  La  La1  2  0.4981  0.0006  0.2443  1.0
  Fe  Fe2  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni3  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni5  1  0.5000  0.5000  0.0000  1.0
  O  O6  2  0.0074  0.0665  0.7506  1.0
  O  O7  2  0.2202  0.7123  0.5272  1.0
  O  O8  2  0.2206  0.2790  0.0363  1.0
  O  O9  2  0.2820  0.7812  0.9709  1.0
  O  O10  2  0.2825  0.2230  0.4614  1.0
  O  O11  2  0.4933  0.4356  0.7483  1.0
]