data_[Na1Mg6Fe1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P4/mmm]
_cell_length_a [4.2740]
_cell_length_b [4.2740]
_cell_length_c [8.6314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaMg6FeO8]
_chemical_formula_sum '[Na1 Mg6 Fe1 O8]'
_cell_volume [157.6725]
_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
[
  Na  Na0  1  0.5000  0.5000  0.0000  1.0
  Mg  Mg1  4  0.0000  0.5000  0.2506  1.0
  Mg  Mg2  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg3  1  0.5000  0.5000  0.5000  1.0
  Fe  Fe4  1  0.0000  0.0000  0.0000  1.0
  O  O5  2  0.0000  0.0000  0.2407  1.0
  O  O6  2  0.0000  0.5000  0.0000  1.0
  O  O7  2  0.0000  0.5000  0.5000  1.0
  O  O8  2  0.5000  0.5000  0.2647  1.0
]