data_[Li3Nd6Co9H36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9225]
_cell_length_b [5.9225]
_cell_length_c [13.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiNd2(CoH4)3]
_chemical_formula_sum '[Li3 Nd6 Co9 H36]'
_cell_volume [424.0179]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0000  1
  Nd  Nd1  6  0.0000  0.0000  0.3809  1
  Co  Co2  9  0.0000  0.5000  0.5000  1
  H  H3  18  0.0075  0.5038  0.6118  1
  H  H4  18  0.0414  0.5207  0.8319  1
]