data_[Na2As1F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6949]
_cell_length_b [5.2196]
_cell_length_c [5.7542]
_cell_angle_alpha [115.6649]
_cell_angle_beta [102.9308]
_cell_angle_gamma [93.3568]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2AsF5]
_chemical_formula_sum '[Na2 As1 F5]'
_cell_volume [121.9173]
_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  0.3655  0.3184  0.7126  1.0
  Na  Na1  1  0.6814  0.7384  0.3375  1.0
  As  As2  1  0.0298  0.0114  0.0215  1.0
  F  F3  1  0.2057  0.9162  0.3289  1.0
  F  F4  1  0.3494  0.3186  0.1062  1.0
  F  F5  1  0.6335  0.7672  0.9480  1.0
  F  F6  1  0.8151  0.1343  0.7567  1.0
  F  F7  1  0.9196  0.2958  0.2885  1.0
]