data_[Th12Sn4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9003]
_cell_length_b [6.9525]
_cell_length_c [8.3762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.1250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3SnH]
_chemical_formula_sum '[Th12 Sn4 H4]'
_cell_volume [497.4642]
_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  8  0.0407  0.2514  0.2953  1
  Th  Th1  4  0.2433  0.0000  0.1890  1
  Sn  Sn2  4  0.2466  0.5000  0.1978  1
  H  H3  4  0.2486  0.0000  0.4697  1
]