data_[La4Fe3Ni1O12]
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 [5.5891]
_cell_length_b [5.5987]
_cell_length_c [7.9447]
_cell_angle_alpha [90.1011]
_cell_angle_beta [90.0031]
_cell_angle_gamma [90.1053]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La4Fe3NiO12]
_chemical_formula_sum '[La4 Fe3 Ni1 O12]'
_cell_volume [248.6022]
_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  0.0095  0.9660  0.2472  1.0
  La  La1  2  0.4956  0.4695  0.2473  1.0
  Fe  Fe2  1  0.0000  0.5000  0.5000  1.0
  Fe  Fe3  1  0.5000  0.0000  0.0000  1.0
  Fe  Fe4  1  0.5000  0.0000  0.5000  1.0
  Ni  Ni5  1  0.0000  0.5000  0.0000  1.0
  O  O6  2  0.0752  0.4857  0.7463  1.0
  O  O7  2  0.2174  0.2167  0.4557  1.0
  O  O8  2  0.2191  0.2094  0.0394  1.0
  O  O9  2  0.2834  0.7157  0.4563  1.0
  O  O10  2  0.2918  0.7167  0.0391  1.0
  O  O11  2  0.4196  0.9862  0.7477  1.0
]