data_[Li2Tb1Co1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2860]
_cell_length_b [4.2860]
_cell_length_c [5.8107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2TbCoH8]
_chemical_formula_sum '[Li2 Tb1 Co1 H8]'
_cell_volume [92.4391]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.1175  1.0
  Tb  Tb1  1  0.0000  0.0000  0.5000  1.0
  Co  Co2  1  0.0000  0.0000  0.0000  1.0
  H  H3  6  0.1655  0.3310  0.8435  1.0
  H  H4  2  0.3333  0.6667  0.4576  1.0
]