data_[Na2Ca2Zn2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.0617]
_cell_length_b [5.0617]
_cell_length_c [10.1571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NaCaZnF6]
_chemical_formula_sum '[Na2 Ca2 Zn2 F12]'
_cell_volume [260.2386]
_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  0.0002  1.0
  Ca  Ca1  2  0.0000  0.0000  0.6689  1.0
  Zn  Zn2  2  0.0000  0.0000  0.3326  1.0
  F  F3  4  0.1817  0.8183  0.4821  1.0
  F  F4  4  0.1859  0.8141  0.1866  1.0
  F  F5  4  0.2227  0.7773  0.8305  1.0
]