data_[Y6Ni48H3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3071]
_cell_length_b [8.3071]
_cell_length_c [11.9427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y2Ni16H]
_chemical_formula_sum '[Y6 Ni48 H3]'
_cell_volume [713.7366]
_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
[
  Y  Y0  3  0.0000  0.0000  0.3340  1
  Y  Y1  3  0.0000  0.0000  0.6603  1
  Ni  Ni2  18  0.0004  0.2959  0.0024  1
  Ni  Ni3  9  0.0046  0.5023  0.5015  1
  Ni  Ni4  9  0.1672  0.3344  0.4890  1
  Ni  Ni5  9  0.1672  0.3345  0.1808  1
  Ni  Ni6  3  0.0000  0.0000  0.9256  1
  H  H7  3  0.0000  0.0000  0.0516  1
]