data_La3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47
_cell_length_b   8.47
_cell_length_c   3.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3H
_chemical_formula_sum   'La6 H2'
_cell_volume   222.92
_cell_formula_units_Z   2
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
  La  La2  1  0.0  0.92  0.69  1.0
  La  La3  1  0.71  0.88  0.69  1.0
  La  La4  1  0.29  0.88  0.69  1.0
  La  La5  1  0.24  0.42  0.9  1.0
  La  La6  1  0.53  0.46  0.9  1.0
  La  La7  1  0.95  0.46  0.9  1.0
  H  H0  1  0.0  0.89  0.9  1.0
  H  H1  1  0.24  0.45  0.69  1.0

data_La3H
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.58
_cell_length_b   8.47
_cell_length_c   8.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   La3H
_chemical_formula_sum   'La6 H2'
_cell_volume   222.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  La  La0  2  0.4  0.17  0.71  1.0
  La  La1  2  0.4  0.59  0.71  1.0
  La  La2  2  0.4  0.88  0.75  1.0
  H  H3  2  0.4  0.12  0.28  1.0

La La La La La La H H
La3H crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two La3H clusters. There are three inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one La(2) and one H(1) atom. The La(1)-La(2) bond length is 2.31 Å. The La(1)-H(1) bond length is 0.78 Å. In the second La site, La(2) is bonded in a 2-coordinate geometry to one La(1) and one H(1) atom. The La(2)-H(1) bond length is 2.52 Å. In the third La site, La(3) is bonded in a distorted single-bond geometry to one H(1) atom. The La(3)-H(1) bond length is 2.62 Å. H(1) is bonded in a single-bond geometry to one La(1), one La(2), and one La(3) atom.