data_[Ba2Sr4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2537]
_cell_length_b [6.1642]
_cell_length_c [13.0220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [BaSr2F8]
_chemical_formula_sum '[Ba2 Sr4 F16]'
_cell_volume [341.4465]
_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  0.5000  1
  Sr  Sr1  4  0.0000  0.5000  0.1869  1
  F  F2  8  0.0000  0.2274  0.3316  1
  F  F3  4  0.0000  0.0000  0.1329  1
  F  F4  4  0.0000  0.3322  0.0000  1
]