data_[Ce1Fe2Cu1H8]
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
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5388]
_cell_length_b [4.5388]
_cell_length_c [6.3109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CeFe2CuH8]
_chemical_formula_sum '[Ce1 Fe2 Cu1 H8]'
_cell_volume [112.5899]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.5000  1
  Fe  Fe1  2  0.3333  0.6667  0.8463  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  H  H3  6  0.1401  0.2802  0.8033  1
  H  H4  2  0.3333  0.6667  0.5905  1
]