data_[Sr4H24C24S8N8O28]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7329]
_cell_length_b [23.6573]
_cell_length_c [6.9663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrH6C6S2N2O7]
_chemical_formula_sum '[Sr4 H24 C24 S8 N8 O28]'
_cell_volume [1271.6339]
_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  0.3139  0.1964  0.7068  1
  H  H1  4  0.0821  0.6644  0.9249  1
  H  H2  4  0.0980  0.6705  0.7023  1
  H  H3  4  0.3673  0.7306  0.5222  1
  H  H4  4  0.3872  0.7089  0.1230  1
  H  H5  4  0.3907  0.6010  0.7760  1
  H  H6  4  0.4248  0.6169  0.9930  1
  C  C7  4  0.2259  0.1671  0.1878  1
  C  C8  4  0.2289  0.0059  0.1007  1
  C  C9  4  0.2303  0.1075  0.1184  1
  C  C10  4  0.2595  0.0352  0.9306  1
  C  C11  4  0.2618  0.5676  0.4179  1
  C  C12  4  0.2748  0.6289  0.3607  1
  S  S13  4  0.1993  0.0535  0.2823  1
  S  S14  4  0.2919  0.5134  0.2517  1
  N  N15  4  0.2322  0.5513  0.5942  1
  N  N16  4  0.2611  0.0925  0.9410  1
  O  O17  4  0.0193  0.6763  0.8059  1
  O  O18  4  0.2051  0.1742  0.3642  1
  O  O19  4  0.2465  0.2055  0.0637  1
  O  O20  4  0.2540  0.6650  0.4907  1
  O  O21  4  0.3073  0.6388  0.1867  1
  O  O22  4  0.4535  0.7408  0.0713  1
  O  O23  4  0.4821  0.6141  0.8705  1
]