data_[Ce2Hf4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0949]
_cell_length_b [9.3228]
_cell_length_c [3.6225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(HfH4)2]
_chemical_formula_sum '[Ce2 Hf4 H16]'
_cell_volume [204.8375]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.5000  1.0
  Hf  Hf1  4  0.0000  0.3317  0.0000  1.0
  H  H2  8  0.1705  0.1412  0.0325  1.0
  H  H3  4  0.0000  0.2498  0.5000  1.0
  H  H4  4  0.1155  0.5000  0.2865  1.0
]