data_BaMg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   131.82
_cell_angle_beta   131.82
_cell_angle_gamma   70.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2Rh
_chemical_formula_sum   'Ba1 Mg2 Rh1'
_cell_volume   97.74
_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  0.61  1.0
  Mg  Mg1  1  0.0  0.3  0.3  1.0
  Mg  Mg2  1  0.3  0.0  0.3  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_BaMg2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   125.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMg2Rh
_chemical_formula_sum   'Ba2 Mg4 Rh2'
_cell_volume   195.48
_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  0.61  1.0
  Mg  Mg1  4  0.35  0.35  0.0  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

Ba Mg Mg Rh
Ba Mg Mg Rh 0 3 o o + 1 3 o o o 2 3 o o o 
BaMg2Rh crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaMg2Rh clusters. Ba(1) is bonded in a single-bond geometry to one Rh(1) atom. The Ba(1)-Rh(1) bond length is 2.22 Å. Mg(1) is bonded in a single-bond geometry to one Rh(1) atom. The Mg(1)-Rh(1) bond length is 1.40 Å. Rh(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Mg(1) atoms.