data_[Ba8Mg2Fe8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2048]
_cell_length_b [18.5934]
_cell_length_c [5.6741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.8447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba4Mg(Fe2O5)2]
_chemical_formula_sum '[Ba8 Mg2 Fe8 O20]'
_cell_volume [624.3039]
_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
[
  Ba  Ba0  4  0.2556  0.3441  0.5178  1.0
  Ba  Ba1  4  0.2778  0.1388  0.5368  1.0
  Mg  Mg2  2  0.0601  0.5000  0.1625  1.0
  Fe  Fe3  4  0.2641  0.2492  0.0252  1.0
  Fe  Fe4  2  0.1231  0.0000  0.8074  1.0
  Fe  Fe5  2  0.3220  0.5000  0.0190  1.0
  O  O6  4  0.0147  0.2481  0.0264  1.0
  O  O7  4  0.0154  0.2468  0.5257  1.0
  O  O8  4  0.1791  0.4230  0.0289  1.0
  O  O9  4  0.3215  0.0780  0.0562  1.0
  O  O10  2  0.1183  0.0000  0.4542  1.0
  O  O11  2  0.3281  0.5000  0.6726  1.0
]