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 [5.4467]
_cell_length_b [6.1754]
_cell_length_c [6.7015]
_cell_angle_alpha [88.5091]
_cell_angle_beta [89.1357]
_cell_angle_gamma [86.3370]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaZrIn2F8]
_chemical_formula_sum '[Na1 Zr1 In2 F8]'
_cell_volume [224.8525]
_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
  Zr  Zr1  1  0.0000  0.0000  0.0000  1
  In  In2  2  0.4965  0.4901  0.7669  1
  F  F3  2  0.1385  0.8001  0.7789  1
  F  F4  2  0.1723  0.8215  0.2281  1
  F  F5  2  0.2917  0.1822  0.9625  1
  F  F6  2  0.3387  0.3372  0.5049  1
]