data_[Na1Ca2Zn1F8]
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 [P2/m]
_cell_length_a [4.0516]
_cell_length_b [7.5790]
_cell_length_c [5.2580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaCa2ZnF8]
_chemical_formula_sum '[Na1 Ca2 Zn1 F8]'
_cell_volume [160.2885]
_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  1  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2473  0.5000  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0476  0.2185  0.7558  1.0
  F  F4  2  0.4266  0.0000  0.2321  1.0
  F  F5  2  0.4890  0.5000  0.2586  1.0
]