data_[Th4H16Se4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  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 [P2_1/c]
_cell_length_a [7.0387]
_cell_length_b [6.9037]
_cell_length_c [12.2769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ThH4SeO7]
_chemical_formula_sum '[Th4 H16 Se4 O28]'
_cell_volume [530.6319]
_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
[
  Th  Th0  4  0.2316  0.1334  0.4810  1
  H  H1  4  0.0501  0.2178  0.6514  1
  H  H2  4  0.1286  0.5130  0.3131  1
  H  H3  4  0.3364  0.0664  0.8135  1
  H  H4  4  0.3456  0.7066  0.4781  1
  Se  Se5  4  0.2752  0.5633  0.6995  1
  O  O6  4  0.0183  0.1254  0.5845  1
  O  O7  4  0.1440  0.7297  0.1726  1
  O  O8  4  0.1607  0.0869  0.2610  1
  O  O9  4  0.2525  0.0335  0.0705  1
  O  O10  4  0.2640  0.0531  0.8658  1
  O  O11  4  0.4137  0.6659  0.9914  1
  O  O12  4  0.4641  0.0988  0.7111  1
]