data_La2ReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReBr
_chemical_formula_sum   'La2 Re1 Br1'
_cell_volume   105.81
_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  La1  1  0.79  0.79  0.42  1.0
  La  La2  1  0.79  0.79  0.87  1.0
  Re  Re3  1  0.0  0.0  0.15  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_La2ReBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2ReBr
_chemical_formula_sum   'La4 Re2 Br2'
_cell_volume   211.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.29  0.5  0.42  1.0
  La  La1  2  0.29  0.5  0.87  1.0
  Re  Re2  2  0.0  0.0  0.15  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

La La Re Br
La2ReBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two La2ReBr clusters. There are two inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one Re(1) atom. The La(1)-Re(1) bond length is 2.52 Å. In the second La site, La(2) is bonded in a single-bond geometry to one Br(1) atom. The La(2)-Br(1) bond length is 1.52 Å. Re(1) is bonded in a distorted single-bond geometry to one La(1) and one Br(1) atom. The Re(1)-Br(1) bond length is 1.21 Å. Br(1) is bonded in a 2-coordinate geometry to one La(2) and one Re(1) atom.