data_[Ba2Li4Zr2F16]
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
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9885]
_cell_length_b [5.9070]
_cell_length_c [8.1287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLi2ZrF8]
_chemical_formula_sum '[Ba2 Li4 Zr2 F16]'
_cell_volume [382.8633]
_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
  Li  Li1  4  0.1114  0.5000  0.7680  1.0
  Zr  Zr2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0018  0.2260  0.8074  1.0
  F  F4  4  0.1878  0.5000  0.5651  1.0
  F  F5  4  0.2471  0.5000  0.9721  1.0
]