data_[Th8H4Os4]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.6502]
_cell_length_b [5.6508]
_cell_length_c [12.7622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Th2HOs]
_chemical_formula_sum '[Th8 H4 Os4]'
_cell_volume [365.3852]
_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  0.1257  0.2454  0.1263  1
  Th  Th1  4  0.3728  0.2502  0.8764  1
  H  H2  4  0.1176  0.2419  0.6249  1
  Os  Os3  4  0.3756  0.2496  0.3750  1
]