data_[La20Fe16Ni4O60]
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 [C2/m]
_cell_length_a [9.7323]
_cell_length_b [5.5544]
_cell_length_c [23.1816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5Fe4NiO15]
_chemical_formula_sum '[La20 Fe16 Ni4 O60]'
_cell_volume [1241.0940]
_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
[
  La  La0  4  0.0458  0.5000  0.6450  1
  La  La1  4  0.0549  0.0000  0.1533  1
  La  La2  4  0.1472  0.0000  0.4487  1
  La  La3  4  0.1544  0.5000  0.9518  1
  La  La4  4  0.2468  0.5000  0.2514  1
  Fe  Fe5  4  0.0997  0.5000  0.7991  1
  Fe  Fe6  4  0.1001  0.0000  0.3013  1
  Fe  Fe7  4  0.2004  0.5000  0.1008  1
  Fe  Fe8  2  0.0000  0.0000  0.0000  1
  Fe  Fe9  2  0.0000  0.5000  0.5000  1
  Ni  Ni10  4  0.2002  0.0000  0.5997  1
  O  O11  8  0.0303  0.2489  0.2399  1
  O  O12  8  0.0702  0.2503  0.5585  1
  O  O13  8  0.1306  0.2508  0.0398  1
  O  O14  8  0.1699  0.2500  0.3590  1
  O  O15  8  0.2297  0.2503  0.8397  1
  O  O16  4  0.0139  0.5000  0.1321  1
  O  O17  4  0.0819  0.0000  0.6678  1
  O  O18  4  0.1132  0.0000  0.9317  1
  O  O19  4  0.1800  0.5000  0.4679  1
  O  O20  4  0.2134  0.5000  0.7318  1
]