data_[Sr64Mn8Fe56O160]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.0353]
_cell_length_b [31.6863]
_cell_length_c [11.2082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr8MnFe7O20]
_chemical_formula_sum '[Sr64 Mn8 Fe56 O160]'
_cell_volume [4073.3894]
_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
[
  Sr  Sr0  4  0.1168  0.0710  0.7402  1
  Sr  Sr1  4  0.1174  0.0713  0.2398  1
  Sr  Sr2  4  0.1177  0.4298  0.2408  1
  Sr  Sr3  4  0.1185  0.4298  0.7407  1
  Sr  Sr4  4  0.1338  0.8204  0.7570  1
  Sr  Sr5  4  0.1338  0.1796  0.2573  1
  Sr  Sr6  4  0.1341  0.3206  0.2572  1
  Sr  Sr7  4  0.1342  0.3206  0.7577  1
  Sr  Sr8  4  0.3657  0.3205  0.2390  1
  Sr  Sr9  4  0.3658  0.6795  0.7392  1
  Sr  Sr10  4  0.3663  0.1795  0.2395  1
  Sr  Sr11  4  0.3664  0.1795  0.7397  1
  Sr  Sr12  4  0.3804  0.4291  0.2530  1
  Sr  Sr13  4  0.3821  0.0706  0.7556  1
  Sr  Sr14  4  0.3827  0.4292  0.7548  1
  Sr  Sr15  4  0.3843  0.0706  0.2572  1
  Mn  Mn16  2  0.1524  0.0000  0.5415  1
  Mn  Mn17  2  0.1542  0.5000  0.0423  1
  Mn  Mn18  2  0.3459  0.5000  0.4844  1
  Mn  Mn19  2  0.3490  0.5000  0.9886  1
  Fe  Fe20  4  0.0907  0.2500  0.4829  1
  Fe  Fe21  4  0.0907  0.7500  0.9829  1
  Fe  Fe22  4  0.1248  0.3757  0.9958  1
  Fe  Fe23  4  0.1248  0.3753  0.4955  1
  Fe  Fe24  4  0.1248  0.1252  0.9955  1
  Fe  Fe25  4  0.1251  0.8750  0.4964  1
  Fe  Fe26  4  0.3747  0.3754  0.4956  1
  Fe  Fe27  4  0.3747  0.3755  0.9959  1
  Fe  Fe28  4  0.3754  0.1252  0.9962  1
  Fe  Fe29  4  0.3756  0.1251  0.4964  1
  Fe  Fe30  4  0.4093  0.2500  0.5515  1
  Fe  Fe31  4  0.4093  0.2500  0.0516  1
  Fe  Fe32  2  0.1594  0.0000  0.0509  1
  Fe  Fe33  2  0.1611  0.5000  0.5515  1
  Fe  Fe34  2  0.3376  0.0000  0.9789  1
  Fe  Fe35  2  0.3404  0.0000  0.4809  1
  O  O36  4  0.0004  0.6297  0.9969  1
  O  O37  4  0.0009  0.3705  0.4971  1
  O  O38  4  0.0011  0.1294  0.4977  1
  O  O39  4  0.0013  0.1292  0.9980  1
  O  O40  4  0.0600  0.2500  0.1235  1
  O  O41  4  0.0600  0.7500  0.6234  1
  O  O42  4  0.0989  0.0548  0.9630  1
  O  O43  4  0.0998  0.4450  0.4623  1
  O  O44  4  0.1059  0.4422  0.9727  1
  O  O45  4  0.1069  0.0569  0.4751  1
  O  O46  4  0.1506  0.3047  0.5143  1
  O  O47  4  0.1507  0.3045  0.0143  1
  O  O48  4  0.1507  0.1951  0.0147  1
  O  O49  4  0.1508  0.1952  0.5147  1
  O  O50  4  0.2484  0.3791  0.7443  1
  O  O51  4  0.2488  0.1204  0.2451  1
  O  O52  4  0.2489  0.3787  0.2453  1
  O  O53  4  0.2495  0.1208  0.7462  1
  O  O54  4  0.2505  0.3790  0.4973  1
  O  O55  4  0.2511  0.1204  0.9974  1
  O  O56  4  0.2512  0.3787  0.9975  1
  O  O57  4  0.2516  0.1207  0.4974  1
  O  O58  4  0.3491  0.1952  0.9631  1
  O  O59  4  0.3493  0.1952  0.4629  1
  O  O60  4  0.3493  0.3046  0.4632  1
  O  O61  4  0.3495  0.3047  0.9631  1
  O  O62  4  0.3933  0.4425  0.5106  1
  O  O63  4  0.3941  0.4425  0.0123  1
  O  O64  4  0.4000  0.0545  0.0133  1
  O  O65  4  0.4010  0.0548  0.5146  1
  O  O66  4  0.4401  0.2500  0.7535  1
  O  O67  4  0.4401  0.2500  0.2536  1
  O  O68  4  0.4986  0.8705  0.2450  1
  O  O69  4  0.4986  0.8707  0.7450  1
  O  O70  4  0.4994  0.3703  0.7460  1
  O  O71  4  0.4997  0.3707  0.2465  1
  O  O72  2  0.1851  0.0000  0.7515  1
  O  O73  2  0.1886  0.0000  0.2521  1
  O  O74  2  0.1914  0.5000  0.7499  1
  O  O75  2  0.1921  0.5000  0.2516  1
  O  O76  2  0.3057  0.0000  0.6146  1
  O  O77  2  0.3102  0.0000  0.1238  1
  O  O78  2  0.3134  0.5000  0.6297  1
  O  O79  2  0.3141  0.5000  0.1240  1
]