data_[Mg1Fe6O10F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5676]
_cell_length_b [2.9337]
_cell_length_c [11.7777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MgFe6(O5F)2]
_chemical_formula_sum '[Mg1 Fe6 O10 F2]'
_cell_volume [218.8035]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Fe  Fe1  2  0.1648  0.0000  0.3193  1
  Fe  Fe2  2  0.3706  0.5000  0.7206  1
  Fe  Fe3  1  0.0000  0.5000  0.0000  1
  Fe  Fe4  1  0.5000  0.0000  0.0000  1
  O  O5  2  0.1607  0.0000  0.6796  1
  O  O6  2  0.1727  0.5000  0.4342  1
  O  O7  2  0.1893  0.0000  0.0015  1
  O  O8  2  0.4436  0.5000  0.8895  1
  O  O9  2  0.4515  0.0000  0.3072  1
  F  F10  2  0.0854  0.5000  0.1911  1
]