data_[Na2Mg1Fe1F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5582]
_cell_length_b [5.5597]
_cell_length_c [5.6041]
_cell_angle_alpha [60.5015]
_cell_angle_beta [60.7116]
_cell_angle_gamma [60.4193]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2MgFeF6]
_chemical_formula_sum '[Na2 Mg1 Fe1 F6]'
_cell_volume [123.9579]
_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  2  0.2322  0.2465  0.2419  1.0
  Mg  Mg1  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  1  0.5000  0.5000  0.5000  1.0
  F  F3  2  0.1568  0.7511  0.3342  1.0
  F  F4  2  0.2202  0.6665  0.8456  1.0
  F  F5  2  0.3438  0.1427  0.7657  1.0
]