data_[Mg6Fe8O14]
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 [Imm2]
_cell_length_a [4.3455]
_cell_length_b [21.4430]
_cell_length_c [3.0582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Mg3Fe4O7]
_chemical_formula_sum '[Mg6 Fe8 O14]'
_cell_volume [284.9614]
_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  0.0000  0.3584  0.0038  1.0
  Mg  Mg1  2  0.0000  0.5000  0.9985  1.0
  Fe  Fe2  4  0.0000  0.0725  0.9995  1.0
  Fe  Fe3  4  0.0000  0.2166  0.9885  1.0
  O  O4  4  0.0000  0.1450  0.4799  1.0
  O  O5  4  0.0000  0.2897  0.5128  1.0
  O  O6  4  0.0000  0.4285  0.4998  1.0
  O  O7  2  0.0000  0.0000  0.5142  1.0
]