data_[Ba2Zn2H4F16]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9627]
_cell_length_b [4.9149]
_cell_length_c [8.2427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaZnH2F8]
_chemical_formula_sum '[Ba2 Zn2 H4 F16]'
_cell_volume [322.1774]
_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  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  H  H2  4  0.0089  0.5000  0.1892  1.0
  F  F3  8  0.0097  0.2664  0.1952  1.0
  F  F4  4  0.1485  0.5000  0.5100  1.0
  F  F5  4  0.2379  0.0000  0.9991  1.0
]