data_[Sr8H4Cl12]
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 [C2/m]
_cell_length_a [15.9309]
_cell_length_b [4.5332]
_cell_length_c [10.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2HCl3]
_chemical_formula_sum '[Sr8 H4 Cl12]'
_cell_volume [697.7843]
_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
[
  Sr  Sr0  4  0.1053  0.5000  0.4318  1.0
  Sr  Sr1  4  0.1401  0.0000  0.8244  1.0
  H  H2  4  0.0676  0.5000  0.6460  1.0
  Cl  Cl3  4  0.0533  0.0000  0.2461  1.0
  Cl  Cl4  4  0.1614  0.5000  0.0057  1.0
  Cl  Cl5  4  0.2128  0.0000  0.6064  1.0
]