data_LaReCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReCl2
_chemical_formula_sum   'La1 Re1 Cl2'
_cell_volume   96.74
_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
  La  La2  1  0.64  0.64  0.64  1.0
  Re  Re3  1  0.82  0.82  0.82  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.47  0.47  0.47  1.0

data_LaReCl2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaReCl2
_chemical_formula_sum   'La3 Re3 Cl6'
_cell_volume   290.22
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.36  1.0
  Re  Re1  3  0.0  0.0  0.18  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0
  Cl  Cl3  3  0.0  0.0  0.53  1.0

La Re Cl Cl
LaReCl2 crystallizes in the trigonal R3m space group. La(1) is bonded in a 5-coordinate geometry to one Re(1), one Cl(2), and three equivalent Cl(1) atoms. The La(1)-Re(1) bond length is 2.25 Å. The La(1)-Cl(2) bond length is 2.25 Å. All La(1)-Cl(1) bond lengths are 2.99 Å. Re(1) is bonded to one La(1), one Cl(1), and three equivalent Cl(2) atoms to form distorted ReLaCl4 trigonal bipyramids that share corners with six equivalent Re(1)LaCl4 trigonal bipyramids and corners with three equivalent Cl(1)La3Re trigonal pyramids. The Re(1)-Cl(1) bond length is 2.25 Å. All Re(1)-Cl(2) bond lengths are 2.99 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent La(1) and one Re(1) atom to form ClLa3Re trigonal pyramids that share corners with three equivalent Re(1)LaCl4 trigonal bipyramids and corners with six equivalent Cl(1)La3Re trigonal pyramids. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one La(1) and three equivalent Re(1) atoms.