data_[Sr8H16Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [12.6388]
_cell_length_b [14.7063]
_cell_length_c [8.3928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Sr(HCl2)2]
_chemical_formula_sum '[Sr8 H16 Cl32]'
_cell_volume [1559.9605]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  8  0.0000  0.0000  0.1204  1
  H  H1  16  0.0277  0.2372  0.6437  1
  Cl  Cl2  16  0.0926  0.1785  0.1560  1
  Cl  Cl3  16  0.1104  0.1791  0.6402  1
]