data_[Ba1Li1Zn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6176]
_cell_length_b [5.0815]
_cell_length_c [7.8159]
_cell_angle_alpha [85.0516]
_cell_angle_beta [89.0127]
_cell_angle_gamma [82.3810]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaLiZn2F8]
_chemical_formula_sum '[Ba1 Li1 Zn2 F8]'
_cell_volume [181.0933]
_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
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.4884  0.4622  0.1893  1.0
  F  F3  2  0.1484  0.7770  0.8128  1.0
  F  F4  2  0.1843  0.7476  0.2241  1.0
  F  F5  2  0.3368  0.2947  0.9863  1.0
  F  F6  2  0.4277  0.2810  0.4144  1.0
]