data_[Fe32Ni16O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [10.3622]
_cell_length_b [6.0246]
_cell_length_c [19.9255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Fe2NiO4]
_chemical_formula_sum '[Fe32 Ni16 O64]'
_cell_volume [1223.4491]
_cell_formula_units_Z [16]
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
[
  Fe  Fe0  4  0.2182  0.2522  0.4073  1
  Fe  Fe1  4  0.2215  0.2482  0.9074  1
  Fe  Fe2  4  0.4691  0.2499  0.6569  1
  Fe  Fe3  4  0.4698  0.2524  0.1542  1
  Fe  Fe4  2  0.0928  0.0000  0.2777  1
  Fe  Fe5  2  0.1902  0.0000  0.5628  1
  Fe  Fe6  2  0.1914  0.5000  0.0616  1
  Fe  Fe7  2  0.2475  0.0000  0.7502  1
  Fe  Fe8  2  0.3446  0.0000  0.0300  1
  Fe  Fe9  2  0.4392  0.0000  0.3106  1
  Fe  Fe10  2  0.4411  0.5000  0.8137  1
  Fe  Fe11  2  0.4965  0.0000  0.5008  1
  Ni  Ni12  2  0.0940  0.5000  0.7829  1
  Ni  Ni13  2  0.2169  0.0000  0.1550  1
  Ni  Ni14  2  0.2189  0.5000  0.6567  1
  Ni  Ni15  2  0.2493  0.5000  0.2516  1
  Ni  Ni16  2  0.3445  0.5000  0.5314  1
  Ni  Ni17  2  0.4670  0.5000  0.4066  1
  Ni  Ni18  2  0.4689  0.0000  0.9076  1
  Ni  Ni19  2  0.4988  0.5000  0.9994  1
  O  O20  4  0.0366  0.2359  0.3436  1
  O  O21  4  0.0386  0.2580  0.8475  1
  O  O22  4  0.1462  0.2552  0.7183  1
  O  O23  4  0.1465  0.2343  0.2165  1
  O  O24  4  0.2888  0.2326  0.0918  1
  O  O25  4  0.2917  0.2549  0.5939  1
  O  O26  4  0.3955  0.2278  0.9700  1
  O  O27  4  0.3992  0.2584  0.4673  1
  O  O28  2  0.0214  0.5000  0.0932  1
  O  O29  2  0.0249  0.0000  0.5973  1
  O  O30  2  0.0279  0.0000  0.0997  1
  O  O31  2  0.0377  0.5000  0.6010  1
  O  O32  2  0.1551  0.0000  0.4626  1
  O  O33  2  0.1587  0.5000  0.9639  1
  O  O34  2  0.1605  0.5000  0.4665  1
  O  O35  2  0.1750  0.0000  0.9675  1
  O  O36  2  0.2718  0.0000  0.3451  1
  O  O37  2  0.2777  0.5000  0.3539  1
  O  O38  2  0.2780  0.5000  0.8487  1
  O  O39  2  0.2807  0.0000  0.8486  1
  O  O40  2  0.4003  0.5000  0.7126  1
  O  O41  2  0.4076  0.0000  0.2126  1
  O  O42  2  0.4123  0.0000  0.7151  1
  O  O43  2  0.4156  0.5000  0.2134  1
]