data_BaHgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHgP2
_chemical_formula_sum   'Ba1 Hg1 P2'
_cell_volume   100.4
_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
  Hg  Hg1  1  0.4  0.4  0.0  1.0
  P  P2  1  0.4  0.0  0.18  1.0
  P  P3  1  0.0  0.4  0.18  1.0

data_BaHgP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaHgP2
_chemical_formula_sum   'Ba2 Hg2 P4'
_cell_volume   200.8
_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
  Hg  Hg1  2  0.4  0.0  0.0  1.0
  P  P2  4  0.2  0.2  0.18  1.0

Ba Hg P P
BaHgP2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaHgP2 clusters. Ba(1) is bonded in a 2-coordinate geometry to two equivalent P(1) atoms. Both Ba(1)-P(1) bond lengths are 2.07 Å. Hg(1) is bonded in a 2-coordinate geometry to two equivalent P(1) atoms. Both Hg(1)-P(1) bond lengths are 2.07 Å. P(1) is bonded in a 1-coordinate geometry to one Ba(1) and one Hg(1) atom.