data_[Ce2Fe2H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1869]
_cell_length_b [3.5988]
_cell_length_c [5.4345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CeFeH3]
_chemical_formula_sum '[Ce2 Fe2 H6]'
_cell_volume [99.9656]
_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  1  0.1591  0.0000  0.1924  1
  Ce  Ce1  1  0.7311  0.0000  0.6190  1
  Fe  Fe2  1  0.4226  0.0000  0.8233  1
  Fe  Fe3  1  0.6804  0.5000  0.1470  1
  H  H4  1  0.1675  0.0000  0.6118  1
  H  H5  1  0.4171  0.5000  0.9107  1
  H  H6  1  0.4815  0.5000  0.3499  1
  H  H7  1  0.6632  0.0000  0.1376  1
  H  H8  1  0.8967  0.5000  0.9545  1
  H  H9  1  0.9242  0.5000  0.3769  1
]