data_[Fe38Co10O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1049]
_cell_length_b [12.1369]
_cell_length_c [10.4753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe19Co5O32]
_chemical_formula_sum '[Fe38 Co10 O64]'
_cell_volume [1258.0380]
_cell_formula_units_Z [2]
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  8  0.0621  0.2498  0.3775  1
  Fe  Fe1  8  0.2481  0.3772  0.7465  1
  Fe  Fe2  8  0.2492  0.3754  0.2474  1
  Fe  Fe3  4  0.0000  0.2494  0.0000  1
  Fe  Fe4  4  0.0598  0.5000  0.8732  1
  Fe  Fe5  4  0.0624  0.0000  0.8795  1
  Fe  Fe6  2  0.0000  0.0000  0.5000  1
  Co  Co7  4  0.2487  0.5000  0.4976  1
  Co  Co8  4  0.2500  0.2500  0.0000  1
  Co  Co9  2  0.0000  0.5000  0.5000  1
  O  O10  8  0.1244  0.1191  0.5079  1
  O  O11  8  0.1284  0.2496  0.2448  1
  O  O12  8  0.1285  0.1321  0.0145  1
  O  O13  8  0.1293  0.3626  0.0158  1
  O  O14  8  0.1301  0.3776  0.5073  1
  O  O15  8  0.1333  0.2507  0.7491  1
  O  O16  4  0.1267  0.0000  0.7397  1
  O  O17  4  0.1368  0.5000  0.7444  1
  O  O18  4  0.1381  0.0000  0.2577  1
  O  O19  4  0.1452  0.5000  0.2564  1
]