data_[Ba1Zn1Sn2F8]
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
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4055]
_cell_length_b [6.2414]
_cell_length_c [7.9229]
_cell_angle_alpha [88.5409]
_cell_angle_beta [82.8887]
_cell_angle_gamma [87.9589]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaZnSn2F8]
_chemical_formula_sum '[Ba1 Zn1 Sn2 F8]'
_cell_volume [215.9885]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Zn  Zn1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4493  0.5465  0.7639  1.0
  F  F3  2  0.0088  0.8252  0.1990  1.0
  F  F4  2  0.0421  0.3380  0.2660  1.0
  F  F5  2  0.4054  0.8491  0.8886  1.0
  F  F6  2  0.4989  0.2626  0.4723  1.0
]