data_BaMnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnHg
_chemical_formula_sum   'Ba1 Mn1 Hg1'
_cell_volume   92.68
_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  1.0  0.66  0.02  1.0
  Mn  Mn2  1  0.0  0.0  0.57  1.0
  Hg  Hg1  1  0.31  0.33  0.46  1.0

data_BaMnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnHg
_chemical_formula_sum   'Ba1 Mn1 Hg1'
_cell_volume   92.68
_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  1.0  0.66  0.02  1.0
  Mn  Mn1  1  0.0  0.0  0.57  1.0
  Hg  Hg2  1  0.31  0.33  0.46  1.0

Ba Mn Hg
BaMnHg crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 8-coordinate geometry to three equivalent Mn(1) and five equivalent Hg(1) atoms. There are a spread of Ba(1)-Mn(1) bond distances ranging from 2.75-3.81 Å. There are a spread of Ba(1)-Hg(1) bond distances ranging from 3.36-3.97 Å. Mn(1) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and one Hg(1) atom. The Mn(1)-Hg(1) bond length is 1.58 Å. Hg(1) is bonded in a distorted single-bond geometry to five equivalent Ba(1) and one Mn(1) atom.