data_LaMg2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Re
_chemical_formula_sum   'La1 Mg2 Re1'
_cell_volume   86.57
_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  La0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.85  0.85  0.91  1.0
  Mg  Mg2  1  0.85  0.85  0.43  1.0
  Re  Re3  1  0.0  0.0  0.17  1.0

data_LaMg2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMg2Re
_chemical_formula_sum   'La2 Mg4 Re2'
_cell_volume   173.14
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  2  0.35  0.5  0.43  1.0
  Mg  Mg2  2  0.35  0.5  0.91  1.0
  Re  Re3  2  0.0  0.0  0.17  1.0

La Mg Mg Re
La Mg Mg Re 0 1 - - - 0 3 o o o 2 3 + + o 
Mg2LaRe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2LaRe clusters. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one La(1) atom. The Mg(1)-La(1) bond length is 0.97 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Re(1) atom. The Mg(2)-Re(1) bond length is 1.84 Å. La(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Re(1) atom. The La(1)-Re(1) bond length is 1.10 Å. Re(1) is bonded in a distorted bent 150 degrees geometry to one Mg(2) and one La(1) atom.