data_[Ba40Sr8Nd16Fe32O120]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [20.6227]
_cell_length_b [11.8797]
_cell_length_c [14.2486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ba5SrNd2Fe4O15]
_chemical_formula_sum '[Ba40 Sr8 Nd16 Fe32 O120]'
_cell_volume [3490.7433]
_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
[
  Ba  Ba0  4  0.0860  0.2623  0.4153  1
  Ba  Ba1  4  0.0868  0.2617  0.9191  1
  Ba  Ba2  4  0.1657  0.4993  0.2598  1
  Ba  Ba3  4  0.1742  0.0029  0.1656  1
  Ba  Ba4  4  0.3259  0.4987  0.9185  1
  Ba  Ba5  4  0.3331  0.0022  0.0089  1
  Ba  Ba6  4  0.4129  0.2384  0.1682  1
  Ba  Ba7  4  0.4142  0.2371  0.6678  1
  Ba  Ba8  4  0.4990  0.4997  0.0032  1
  Ba  Ba9  4  0.5000  0.4989  0.7533  1
  Sr  Sr10  4  0.2395  0.2835  0.0816  1
  Sr  Sr11  4  0.4784  0.0011  0.3322  1
  Nd  Nd12  4  0.0218  0.4991  0.5827  1
  Nd  Nd13  4  0.2394  0.2821  0.5812  1
  Nd  Nd14  4  0.2608  0.2170  0.8335  1
  Nd  Nd15  4  0.2609  0.2179  0.3303  1
  Fe  Fe16  4  0.0908  0.2665  0.6680  1
  Fe  Fe17  4  0.0912  0.2694  0.1685  1
  Fe  Fe18  4  0.1678  0.4999  0.9869  1
  Fe  Fe19  4  0.1790  0.0016  0.4177  1
  Fe  Fe20  4  0.3195  0.4994  0.6715  1
  Fe  Fe21  4  0.3339  0.0008  0.7361  1
  Fe  Fe22  4  0.4099  0.2299  0.4212  1
  Fe  Fe23  4  0.4107  0.2292  0.9186  1
  O  O24  4  0.0327  0.3630  0.2316  1
  O  O25  4  0.0334  0.3641  0.7291  1
  O  O26  4  0.0494  0.1394  0.6216  1
  O  O27  4  0.0506  0.1425  0.1181  1
  O  O28  4  0.0850  0.4991  0.4189  1
  O  O29  4  0.0943  0.0020  0.3720  1
  O  O30  4  0.1229  0.3783  0.0793  1
  O  O31  4  0.1260  0.3697  0.5778  1
  O  O32  4  0.1643  0.2293  0.2422  1
  O  O33  4  0.1678  0.2288  0.7348  1
  O  O34  4  0.1985  0.1330  0.9787  1
  O  O35  4  0.2003  0.1355  0.4839  1
  O  O36  4  0.2081  0.3782  0.9108  1
  O  O37  4  0.2096  0.3730  0.4165  1
  O  O38  4  0.2481  0.0010  0.3266  1
  O  O39  4  0.2510  0.4922  0.5794  1
  O  O40  4  0.2909  0.1267  0.6654  1
  O  O41  4  0.2920  0.1225  0.1682  1
  O  O42  4  0.3011  0.3638  0.7369  1
  O  O43  4  0.3019  0.3704  0.2426  1
  O  O44  4  0.3336  0.2690  0.4872  1
  O  O45  4  0.3343  0.2682  0.9794  1
  O  O46  4  0.3720  0.1263  0.8274  1
  O  O47  4  0.3723  0.1301  0.3295  1
  O  O48  4  0.4028  0.4995  0.1211  1
  O  O49  4  0.4150  0.0003  0.6614  1
  O  O50  4  0.4522  0.3539  0.3699  1
  O  O51  4  0.4534  0.3533  0.8694  1
  O  O52  4  0.4672  0.1392  0.4930  1
  O  O53  4  0.4677  0.1374  0.9920  1
]