data_[Ba8Zn4F28]
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/c]
_cell_length_a [11.9306]
_cell_length_b [9.3677]
_cell_length_c [7.4002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2ZnF7]
_chemical_formula_sum '[Ba8 Zn4 F28]'
_cell_volume [671.4580]
_cell_formula_units_Z [4]
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  8  0.1667  0.3519  0.1859  1
  Zn  Zn1  4  0.0000  0.0126  0.7500  1
  F  F2  8  0.0496  0.1308  0.4719  1
  F  F3  8  0.1484  0.1451  0.9209  1
  F  F4  8  0.2245  0.3923  0.5945  1
  F  F5  4  0.0000  0.4845  0.7500  1
]