data_[Mg6Fe4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [9.7538]
_cell_length_b [4.2215]
_cell_length_c [6.8827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.9691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3Fe2O5]
_chemical_formula_sum '[Mg6 Fe4 O10]'
_cell_volume [200.5043]
_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
[
  Mg  Mg0  4  0.2064  0.0000  0.1069  1.0
  Mg  Mg1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  4  0.0979  0.5000  0.2945  1.0
  O  O3  4  0.0932  0.0000  0.2883  1.0
  O  O4  4  0.2123  0.5000  0.1093  1.0
  O  O5  2  0.0000  0.5000  0.5000  1.0
]