data_[Na2Ca1Zn1F8]
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 [P-1]
_cell_length_a [3.8095]
_cell_length_b [5.7321]
_cell_length_c [7.3823]
_cell_angle_alpha [92.6223]
_cell_angle_beta [97.0444]
_cell_angle_gamma [92.5104]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2CaZnF8]
_chemical_formula_sum '[Na2 Ca1 Zn1 F8]'
_cell_volume [159.6199]
_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  0.4976  0.4622  0.2464  1.0
  Ca  Ca1  1  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0168  0.7257  0.2428  1.0
  F  F4  2  0.0226  0.8028  0.7763  1.0
  F  F5  2  0.4258  0.2238  0.9623  1.0
  F  F6  2  0.4737  0.7566  0.4843  1.0
]