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 [Cm]
_cell_length_a [7.6359]
_cell_length_b [11.2394]
_cell_length_c [4.3359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaSr2F8]
_chemical_formula_sum '[Ba2 Sr4 F16]'
_cell_volume [370.6945]
_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  0.4549  0.5000  0.9993  1.0
  Sr  Sr1  4  0.4952  0.1833  0.4929  1.0
  F  F2  4  0.0438  0.2306  0.0021  1.0
  F  F3  4  0.1873  0.0904  0.5413  1.0
  F  F4  4  0.3089  0.3649  0.4758  1.0
  F  F5  2  0.0913  0.5000  0.8291  1.0
  F  F6  2  0.4173  0.0000  0.1475  1.0
]