data_[Na8Mg1Fe2O8]
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 [P1]
_cell_length_a [5.6472]
_cell_length_b [5.9211]
_cell_length_c [8.9809]
_cell_angle_alpha [72.4724]
_cell_angle_beta [86.3299]
_cell_angle_gamma [70.8681]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na8Mg(FeO4)2]
_chemical_formula_sum '[Na8 Mg1 Fe2 O8]'
_cell_volume [270.3419]
_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  0.2428  0.5111  0.4052  1.0
  Na  Na1  1  0.2548  0.9444  0.5785  1.0
  Na  Na2  1  0.2554  0.1045  0.2292  1.0
  Na  Na3  1  0.4243  0.9175  0.9492  1.0
  Na  Na4  1  0.7379  0.0136  0.4303  1.0
  Na  Na5  1  0.7544  0.2276  0.0103  1.0
  Na  Na6  1  0.7566  0.4360  0.5802  1.0
  Na  Na7  1  0.7613  0.7751  0.7825  1.0
  Mg  Mg8  1  0.1910  0.5580  0.0223  1.0
  Fe  Fe9  1  0.2702  0.4231  0.7509  1.0
  Fe  Fe10  1  0.7118  0.5728  0.2418  1.0
  O  O11  1  0.0196  0.6562  0.6036  1.0
  O  O12  1  0.1435  0.2812  0.9557  1.0
  O  O13  1  0.4063  0.6287  0.8288  1.0
  O  O14  1  0.4680  0.4448  0.1796  1.0
  O  O15  1  0.4924  0.1791  0.6673  1.0
  O  O16  1  0.5300  0.7651  0.3720  1.0
  O  O17  1  0.8449  0.7673  0.0568  1.0
  O  O18  1  0.9638  0.2938  0.3713  1.0
]