data_[K6Li3Ni9H36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1200]
_cell_length_b [6.1200]
_cell_length_c [15.2821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Li(NiH4)3]
_chemical_formula_sum '[K6 Li3 Ni9 H36]'
_cell_volume [495.6980]
_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
[
  K  K0  6  0.0000  0.0000  0.3807  1.0
  Li  Li1  3  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  9  0.0000  0.5000  0.5000  1.0
  H  H3  18  0.0182  0.5091  0.6002  1.0
  H  H4  18  0.0690  0.5345  0.8416  1.0
]