data_[Nd3Co9H18]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [4.3984]
_cell_length_b [4.3984]
_cell_length_c [14.8950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Nd(CoH2)3]
_chemical_formula_sum '[Nd3 Co9 H18]'
_cell_volume [249.5502]
_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  0.1237  1
  Co  Co1  3  0.0000  0.0000  0.3271  1
  Co  Co2  3  0.0000  0.0000  0.6573  1
  Co  Co3  3  0.0000  0.0000  0.9381  1
  H  H4  9  0.0370  0.3394  0.2552  1
  H  H5  9  0.1611  0.8266  0.3961  1
]