data_[Th1Co2H8Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6139]
_cell_length_b [4.6139]
_cell_length_c [6.1420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [ThCo2H8Pd]
_chemical_formula_sum '[Th1 Co2 H8 Pd1]'
_cell_volume [113.2315]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Co  Co1  2  0.3333  0.6667  0.6486  1
  H  H2  6  0.1809  0.3618  0.8254  1
  H  H3  2  0.3333  0.6667  0.3929  1
  Pd  Pd4  1  0.0000  0.0000  0.0000  1
]