data_GdIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdIn3
_chemical_formula_sum   'Gd2 In6'
_cell_volume   194.39
_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
  Gd  Gd0  1  0.0  0.8  0.3  1.0
  Gd  Gd1  1  0.29  0.9  0.89  1.0
  In  In2  1  0.0  0.84  0.89  1.0
  In  In3  1  0.69  0.77  0.89  1.0
  In  In4  1  0.31  0.77  0.89  1.0
  In  In5  1  0.29  0.85  0.3  1.0
  In  In6  1  0.59  0.92  0.3  1.0
  In  In7  1  0.98  0.92  0.3  1.0

data_GdIn3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.19
_cell_length_b   6.57
_cell_length_c   6.57
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GdIn3
_chemical_formula_sum   'Gd2 In6'
_cell_volume   194.39
_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
  Gd  Gd0  2  0.2  0.86  0.45  1.0
  In  In1  2  0.2  0.14  0.51  1.0
  In  In2  2  0.2  0.45  0.57  1.0
  In  In3  2  0.2  0.84  0.57  1.0

Gd Gd In In In In In In
Gd Gd In In In In In In 0 7 - o o 0 2 o o - 0 5 o o o 1 4 o o o 1 2 o o o 1 5 o o + 2 3 - o o 5 6 o o o 
GdIn3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two GdIn3 clusters. Gd(1) is bonded in a distorted single-bond geometry to one In(1) and one In(3) atom. The Gd(1)-In(1) bond length is 1.73 Å. The Gd(1)-In(3) bond length is 0.89 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 1-coordinate geometry to one Gd(1) and one In(2) atom. The In(1)-In(2) bond length is 1.84 Å. In the second In site, In(2) is bonded in a 1-coordinate geometry to one In(1) atom. In the third In site, In(3) is bonded in a single-bond geometry to one Gd(1) atom.