data_[Na4I2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6467]
_cell_length_b [5.7429]
_cell_length_c [8.6089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2IF6]
_chemical_formula_sum '[Na4 I2 F12]'
_cell_volume [299.8851]
_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  4  0.1127  0.1007  0.7053  1
  I  I1  2  0.5000  0.0000  0.5000  1
  F  F2  4  0.1416  0.1714  0.4392  1
  F  F3  4  0.2653  0.7483  0.3866  1
  F  F4  4  0.4304  0.1802  0.2826  1
]