data_[Sc4H52Cl8O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [Pnnm]
_cell_length_a [8.6448]
_cell_length_b [15.7261]
_cell_length_c [7.2463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [ScH13Cl2O7]
_chemical_formula_sum '[Sc4 H52 Cl8 O28]'
_cell_volume [985.1289]
_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
[
  Sc  Sc0  4  0.1349  0.0798  0.5000  1
  H  H1  8  0.0513  0.8503  0.2171  1
  H  H2  8  0.0974  0.2080  0.2041  1
  H  H3  8  0.1645  0.5804  0.3183  1
  H  H4  8  0.2297  0.4866  0.2912  1
  H  H5  4  0.0202  0.3563  0.5000  1
  H  H6  4  0.0759  0.6795  0.0000  1
  H  H7  4  0.1376  0.6973  0.5000  1
  H  H8  4  0.1819  0.9040  0.5000  1
  H  H9  4  0.2142  0.7457  0.0000  1
  Cl  Cl10  4  0.1681  0.2927  0.0000  1
  Cl  Cl11  4  0.2307  0.8821  0.0000  1
  O  O12  8  0.0410  0.1679  0.2866  1
  O  O13  8  0.2103  0.5405  0.2260  1
  O  O14  4  0.0941  0.6391  0.5000  1
  O  O15  4  0.1016  0.9485  0.5000  1
  O  O16  4  0.1904  0.6841  0.0000  1
]