data_[K2Th4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Th  1.3000  1.8000  1.0800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0688]
_cell_length_b [11.0398]
_cell_length_c [4.1084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(ThH4)2]
_chemical_formula_sum '[K2 Th4 H16]'
_cell_volume [311.9110]
_cell_formula_units_Z [2]
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
[
  K  K0  2  0.0000  0.0000  0.5000  1
  Th  Th1  4  0.0000  0.3216  0.0000  1
  H  H2  8  0.1837  0.1513  0.0426  1
  H  H3  4  0.0000  0.2449  0.5000  1
  H  H4  4  0.1094  0.5000  0.2748  1
]