data_[Ba2Li4Pr2F16]
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
  Pr  1.1300  1.8500  1.0600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.4474]
_cell_length_b [5.4474]
_cell_length_c [12.2511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [BaLi2PrF8]
_chemical_formula_sum '[Ba2 Li4 Pr2 F16]'
_cell_volume [363.5415]
_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  0.5000  0.7500  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.2500  1.0
  Pr  Pr3  2  0.0000  0.0000  0.5000  1.0
  F  F4  8  0.1148  0.7689  0.3364  1.0
  F  F5  8  0.1537  0.2762  0.9338  1.0
]