data_[Ce4Cu4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.6437]
_cell_length_b [11.6668]
_cell_length_c [4.1803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [CeCuH4]
_chemical_formula_sum '[Ce4 Cu4 H16]'
_cell_volume [226.4771]
_cell_formula_units_Z [4]
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  4  0.2500  0.3625  0.4480  1.0
  Cu  Cu1  4  0.2500  0.0821  0.4353  1.0
  H  H2  8  0.0096  0.3113  0.9656  1.0
  H  H3  4  0.0000  0.0000  0.6376  1.0
  H  H4  4  0.2500  0.0676  0.0480  1.0
]