data_Be(HgP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   122.45
_cell_angle_beta   122.45
_cell_angle_gamma   85.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be(HgP)2
_chemical_formula_sum   'Be1 Hg2 P2'
_cell_volume   120.66
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.71  0.06  1.0
  Hg  Hg2  1  0.71  0.0  0.06  1.0
  P  P3  1  0.0  0.0  0.21  1.0
  P  P4  1  0.0  0.0  0.02  1.0

data_Be(HgP)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   132.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be(HgP)2
_chemical_formula_sum   'Be2 Hg4 P4'
_cell_volume   241.32
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  4  0.29  0.35  0.65  1.0
  P  P2  2  0.29  0.5  0.79  1.0
  P  P3  2  0.48  0.5  0.98  1.0

Be Hg Hg P P
Be Hg Hg P P 0 4 o o o 0 3 o o o 1 3 o + o 2 3 + o o 3 4 o o o 
Be(HgP)2 is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Be(HgP)2 clusters. Be(1) is bonded in a single-bond geometry to one P(2) atom. The Be(1)-P(2) bond length is 0.13 Å. Hg(1) is bonded in a distorted single-bond geometry to one P(1) atom. The Hg(1)-P(1) bond length is 1.39 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted T-shaped geometry to two equivalent Hg(1) and one P(2) atom. The P(1)-P(2) bond length is 1.06 Å. In the second P site, P(2) is bonded in a single-bond geometry to one Be(1) and one P(1) atom.