data_[Ba4Sr4H8F24]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7270]
_cell_length_b [9.4731]
_cell_length_c [7.7576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaSrH2F6]
_chemical_formula_sum '[Ba4 Sr4 H8 F24]'
_cell_volume [541.2369]
_cell_formula_units_Z [4]
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  4  0.0000  0.0993  0.2500  1
  Sr  Sr1  4  0.0000  0.3401  0.7500  1
  H  H2  8  0.2148  0.3570  0.2593  1
  F  F3  8  0.1267  0.4391  0.1582  1
  F  F4  8  0.1393  0.1217  0.9896  1
  F  F5  8  0.1933  0.2390  0.6281  1
]