data_LaRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe3
_chemical_formula_sum   'La2 Re6'
_cell_volume   176.42
_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  La0  1  0.68  0.33  0.06  1.0
  La  La1  1  0.68  0.67  0.19  1.0
  Re  Re2  1  0.31  0.23  0.19  1.0
  Re  Re3  1  0.68  0.88  0.19  1.0
  Re  Re4  1  0.31  0.77  0.06  1.0
  Re  Re5  1  0.05  0.23  0.19  1.0
  Re  Re6  1  0.68  0.12  0.06  1.0
  Re  Re7  1  0.05  0.77  0.06  1.0

data_LaRe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.25
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   113.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaRe3
_chemical_formula_sum   'La2 Re6'
_cell_volume   176.42
_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  0.06  0.5  0.67  1.0
  Re  Re1  2  0.06  0.87  0.23  1.0
  Re  Re2  2  0.06  0.13  0.23  1.0
  Re  Re3  2  0.06  0.5  0.88  1.0

La La Re Re Re Re Re Re
La La Re Re Re Re Re Re 0 6 o o o 1 3 o o o 2 5 o o o 4 7 o o o 
LaRe3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one LaRe3 cluster. La(1) is bonded in a distorted single-bond geometry to one Re(2) and two equivalent Re(1) atoms. The La(1)-Re(2) bond length is 1.41 Å. There is one shorter (2.37 Å) and one longer (2.98 Å) La(1)-Re(1) bond length. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Re(3) atom. The Re(1)-Re(3) bond length is 1.74 Å. In the second Re site, Re(2) is bonded in a distorted single-bond geometry to one La(1) atom. In the third Re site, Re(3) is bonded in a 1-coordinate geometry to one Re(1) atom.