data_[Na2Zr1F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.9418]
_cell_length_b [5.9418]
_cell_length_c [3.5016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Na2ZrF6]
_chemical_formula_sum '[Na2 Zr1 F6]'
_cell_volume [107.0610]
_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  2  0.3333  0.6667  0.5000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  F  F2  3  0.0000  0.3529  0.0000  1.0
  F  F3  3  0.0000  0.7593  0.5000  1.0
]