data_[Na2Zr4Fe2F22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2845]
_cell_length_b [6.8772]
_cell_length_c [7.9371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaZr2FeF11]
_chemical_formula_sum '[Na2 Zr4 Fe2 F22]'
_cell_volume [454.2411]
_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  0.0000  1.0
  Zr  Zr1  4  0.0046  0.5000  0.2350  1.0
  Fe  Fe2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.0148  0.2083  0.3084  1.0
  F  F4  4  0.0000  0.3302  0.0000  1.0
  F  F5  4  0.2335  0.5000  0.8911  1.0
  F  F6  4  0.2469  0.0000  0.6477  1.0
  F  F7  2  0.0000  0.5000  0.5000  1.0
]