data_[Nd3Co6Ni3H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.4296]
_cell_length_b [4.4296]
_cell_length_c [16.0406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NdCo2NiH8]
_chemical_formula_sum '[Nd3 Co6 Ni3 H24]'
_cell_volume [272.5702]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1.0
  Co  Co1  6  0.0000  0.0000  0.3002  1.0
  Ni  Ni2  3  0.0000  0.0000  0.0000  1.0
  H  H3  18  0.0159  0.7144  0.6233  1.0
  H  H4  6  0.0000  0.0000  0.2001  1.0
]