data_[Na4Ca2Zr2F16]
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
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.4767]
_cell_length_b [10.6229]
_cell_length_c [5.5280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.9823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na2CaZrF8]
_chemical_formula_sum '[Na4 Ca2 Zr2 F16]'
_cell_volume [326.3736]
_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  0.2826  0.0000  1.0
  Na  Na1  2  0.0000  0.4701  0.5000  1.0
  Ca  Ca2  2  0.0000  0.0086  0.5000  1.0
  Zr  Zr3  2  0.0000  0.7471  0.0000  1.0
  F  F4  4  0.1416  0.5931  0.3386  1.0
  F  F5  4  0.1918  0.8997  0.9840  1.0
  F  F6  4  0.1924  0.1706  0.8991  1.0
  F  F7  4  0.2268  0.8324  0.4723  1.0
]