data_[Th2Mo4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5935]
_cell_length_b [8.3869]
_cell_length_c [4.7148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Th(MoH4)2]
_chemical_formula_sum '[Th2 Mo4 H16]'
_cell_volume [181.6414]
_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
[
  Th  Th0  2  0.5000  0.0000  0.0842  1
  Mo  Mo1  4  0.0000  0.1736  0.5400  1
  H  H2  8  0.2872  0.2224  0.8347  1
  H  H3  4  0.0000  0.1134  0.1578  1
  H  H4  4  0.2665  0.0000  0.5736  1
]