data_[Li6Co6H18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4134]
_cell_length_b [4.4134]
_cell_length_c [12.7667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiCoH3]
_chemical_formula_sum '[Li6 Co6 H18]'
_cell_volume [215.3559]
_cell_formula_units_Z [6]
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  0.6544  1.0
  Li  Li1  3  0.0000  0.0000  0.8779  1.0
  Co  Co2  3  0.0000  0.0000  0.0879  1.0
  Co  Co3  3  0.0000  0.0000  0.2711  1.0
  H  H4  9  0.0013  0.5007  0.6798  1.0
  H  H5  9  0.0297  0.5149  0.8505  1.0
]