data_BaMg2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   131.47
_cell_angle_beta   131.47
_cell_angle_gamma   71.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2Re
_chemical_formula_sum   'Ba1 Mg2 Re1'
_cell_volume   92.1
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.27  0.0  0.24  1.0
  Mg  Mg2  1  0.0  0.27  0.24  1.0
  Re  Re3  1  0.0  0.0  0.49  1.0

data_BaMg2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   125.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMg2Re
_chemical_formula_sum   'Ba2 Mg4 Re2'
_cell_volume   184.19
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Mg  Mg1  4  0.37  0.37  0.98  1.0
  Re  Re2  2  0.0  0.0  0.49  1.0

Ba Mg Mg Re
BaMg2Re crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a distorted L-shaped geometry to two equivalent Mg(1) and two equivalent Re(1) atoms. Both Ba(1)-Mg(1) bond lengths are 1.16 Å. There is one shorter (2.68 Å) and one longer (2.83 Å) Ba(1)-Re(1) bond length. Mg(1) is bonded in a single-bond geometry to one Ba(1) and two equivalent Re(1) atoms. There is one shorter (2.56 Å) and one longer (3.32 Å) Mg(1)-Re(1) bond length. Re(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent Mg(1) atoms.