data_[Na2In4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6938]
_cell_length_b [10.3551]
_cell_length_c [4.0981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaIn2F8]
_chemical_formula_sum '[Na2 In4 F16]'
_cell_volume [282.5392]
_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
  In  In1  4  0.0000  0.3067  0.0000  1
  F  F2  8  0.1998  0.1324  0.0417  1
  F  F3  4  0.0000  0.2476  0.5000  1
  F  F4  4  0.0775  0.5000  0.3042  1
]