data_[Na2Mn2Fe4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.8937]
_cell_length_b [7.1305]
_cell_length_c [6.4607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [NaMnFe2F8]
_chemical_formula_sum '[Na2 Mn2 Fe4 F16]'
_cell_volume [317.5791]
_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
[
  Na  Na0  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.5000  0.2501  1.0
  F  F3  8  0.2146  0.0000  0.2349  1.0
  F  F4  4  0.0000  0.3105  0.0000  1.0
  F  F5  4  0.0000  0.3217  0.5000  1.0
]