data_[Na4Zr4F16]
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 [C2/m]
_cell_length_a [11.3147]
_cell_length_b [5.4992]
_cell_length_c [5.3063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaZrF4]
_chemical_formula_sum '[Na4 Zr4 F16]'
_cell_volume [302.4462]
_cell_formula_units_Z [4]
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  4  0.1293  0.0000  0.3892  1
  Zr  Zr1  4  0.1180  0.5000  0.8825  1
  F  F2  8  0.2492  0.2457  0.7734  1
  F  F3  4  0.0000  0.2367  0.0000  1
  F  F4  4  0.0000  0.2799  0.5000  1
]