data_[Sr2H12Se4O4]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1330]
_cell_length_b [4.8249]
_cell_length_c [7.2946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrH6(SeO)2]
_chemical_formula_sum '[Sr2 H12 Se4 O4]'
_cell_volume [316.1867]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.5000  1
  H  H1  8  0.1947  0.1746  0.1672  1
  H  H2  4  0.1562  0.0000  0.9582  1
  Se  Se3  4  0.1987  0.0000  0.6898  1
  O  O4  4  0.1427  0.0000  0.0988  1
]