data_[Ba4Zn2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6623]
_cell_length_b [4.5962]
_cell_length_c [5.0667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2ZnF8]
_chemical_formula_sum '[Ba4 Zn2 F16]'
_cell_volume [345.5118]
_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
[
  Ba  Ba0  4  0.1635  0.0000  0.6698  1
  Zn  Zn1  2  0.0000  0.5000  0.0000  1
  F  F2  4  0.0021  0.0000  0.8097  1
  F  F3  4  0.0801  0.5000  0.3735  1
  F  F4  4  0.1101  0.5000  0.9106  1
  F  F5  4  0.2341  0.0000  0.2434  1
]