data_[Sr1H12Cl2O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [7.9970]
_cell_length_b [7.9970]
_cell_length_c [4.1958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [150]
_chemical_formula_structural [SrH12(ClO3)2]
_chemical_formula_sum '[Sr1 H12 Cl2 O6]'
_cell_volume [232.3776]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  H  H1  6  0.0998  0.4447  0.0931  1
  H  H2  6  0.1128  0.7561  0.5028  1
  Cl  Cl3  2  0.3333  0.6667  0.3812  1
  O  O4  3  0.0000  0.3217  0.0000  1
  O  O5  3  0.0000  0.7753  0.5000  1
]