data_[Nd4Cu4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6454]
_cell_length_b [4.5032]
_cell_length_c [6.4153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdCuH4]
_chemical_formula_sum '[Nd4 Cu4 H16]'
_cell_volume [233.7469]
_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
[
  Nd  Nd0  4  0.0000  0.2303  0.7500  1
  Cu  Cu1  4  0.2500  0.2500  0.5000  1
  H  H2  8  0.0539  0.3031  0.4243  1
  H  H3  8  0.2161  0.0610  0.1517  1
]