data_LiMg2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Re
_chemical_formula_sum   'Li1 Mg2 Re1'
_cell_volume   67.42
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.44  0.41  1.0
  Mg  Mg2  1  0.44  0.0  0.41  1.0
  Re  Re3  1  0.44  0.44  0.0  1.0

data_LiMg2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMg2Re
_chemical_formula_sum   'Li2 Mg4 Re2'
_cell_volume   134.85
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Mg  Mg1  4  0.22  0.22  0.41  1.0
  Re  Re2  2  0.44  0.0  0.0  1.0

Li Mg Mg Re
Li Mg Mg Re 0 2 - o o 0 2 o o - 0 2 o o o 0 1 o - o 0 1 o o - 0 1 o o o 0 0 o o + 0 3 o o o 1 3 - o o 1 3 o o o 1 3 o o + 1 2 o o o 1 1 o o + 2 3 o - o 2 3 o o o 2 3 o o + 2 2 o o + 3 3 o o + 
LiMg2Re crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 2-coordinate geometry to eight equivalent Mg(1) atoms. There are a spread of Li(1)-Mg(1) bond distances ranging from 2.46-3.19 Å. Mg(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), two equivalent Mg(1), and four equivalent Re(1) atoms. Both Mg(1)-Mg(1) bond lengths are 2.82 Å. There are a spread of Mg(1)-Re(1) bond distances ranging from 2.46-3.19 Å. Re(1) is bonded in a 2-coordinate geometry to eight equivalent Mg(1) atoms.