data_LaRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe3
_chemical_formula_sum   'La2 Re6'
_cell_volume   150.97
_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  0.66  0.66  0.66  1.0
  La  La1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.66  0.99  0.0  1.0
  Re  Re3  1  0.66  0.33  0.0  1.0
  Re  Re4  1  0.99  0.0  0.66  1.0
  Re  Re5  1  0.0  0.66  0.99  1.0
  Re  Re6  1  0.0  0.66  0.33  1.0
  Re  Re7  1  0.33  0.0  0.66  1.0

data_LaRe3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   LaRe3
_chemical_formula_sum   'La6 Re18'
_cell_volume   452.91
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  0.0  1.0
  La  La1  3  0.0  0.0  0.66  1.0
  Re  Re2  9  -0.0  0.67  0.33  1.0
  Re  Re3  9  0.11  0.22  0.89  1.0

La La Re Re Re Re Re Re
La La Re Re Re Re Re Re 0 7 o + o 0 3 o o + 0 6 + o o 0 5 + o o 0 4 o + o 0 2 o o + 1 2 - - o 1 4 - o - 1 5 o - - 2 3 o + o 4 7 + o o 5 6 o o + 
LaRe3 crystallizes in the trigonal R3 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent Re(2) atoms. All La(1)-Re(1) bond lengths are 2.52 Å. All La(1)-Re(2) bond lengths are 2.52 Å. In the second La site, La(2) is bonded in a 3-coordinate geometry to three equivalent Re(1) and three equivalent Re(2) atoms. All La(2)-Re(1) bond lengths are 1.80 Å. All La(2)-Re(2) bond lengths are 2.52 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to one La(1), one La(2), and two equivalent Re(2) atoms. There is one shorter (1.80 Å) and one longer (2.52 Å) Re(1)-Re(2) bond length. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), and two equivalent Re(1) atoms.