data_[Th3Fe3Co6H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.4144]
_cell_length_b [4.4144]
_cell_length_c [15.8489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [ThFe(CoH4)2]
_chemical_formula_sum '[Th3 Fe3 Co6 H24]'
_cell_volume [267.4710]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1
  Fe  Fe1  3  0.0000  0.0000  0.0000  1
  Co  Co2  6  0.0000  0.0000  0.2974  1
  H  H3  18  0.0201  0.6381  0.2861  1
  H  H4  6  0.0000  0.0000  0.1937  1
]