data_[Na1Zr1In2F8]
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
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4898]
_cell_length_b [6.1822]
_cell_length_c [6.6948]
_cell_angle_alpha [88.3578]
_cell_angle_beta [88.9680]
_cell_angle_gamma [86.2403]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaZrIn2F8]
_chemical_formula_sum '[Na1 Zr1 In2 F8]'
_cell_volume [226.6007]
_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  0.0000  0.0000  0.5000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.4959  0.4900  0.7673  1.0
  F  F3  2  0.1382  0.8003  0.7791  1.0
  F  F4  2  0.1718  0.8216  0.2277  1.0
  F  F5  2  0.2903  0.1811  0.9626  1.0
  F  F6  2  0.3395  0.3380  0.5046  1.0
]