data_Hg2BiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiP
_chemical_formula_sum   'Hg2 Bi1 P1'
_cell_volume   98.26
_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
  Hg  Hg1  1  0.83  0.83  0.83  1.0
  Hg  Hg2  1  0.49  0.49  0.49  1.0
  Bi  Bi0  1  0.66  0.66  0.66  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Hg2BiP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hg2BiP
_chemical_formula_sum   'Hg6 Bi3 P3'
_cell_volume   294.79
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Hg  Hg0  3  0.0  0.0  0.17  1.0
  Hg  Hg1  3  0.0  0.0  0.51  1.0
  Bi  Bi2  3  0.0  0.0  0.34  1.0
  P  P3  3  0.0  0.0  0.0  1.0

Hg Hg Bi P
Hg2BiP crystallizes in the trigonal R3m space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one Bi(1) and one P(1) atom. The Hg(1)-Bi(1) bond length is 2.14 Å. The Hg(1)-P(1) bond length is 2.14 Å. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Hg(2)-Bi(1) bond length is 2.14 Å. Bi(1) is bonded to one Hg(1), one Hg(2), and three equivalent P(1) atoms to form BiHg2P3 trigonal bipyramids that share corners with six equivalent Bi(1)Hg2P3 trigonal bipyramids and  a cornercorner with one P(1)HgBi3 trigonal pyramid. All Bi(1)-P(1) bond lengths are 2.99 Å. P(1) is bonded to one Hg(1) and three equivalent Bi(1) atoms to form distorted PHgBi3 trigonal pyramids that share  a cornercorner with one Bi(1)Hg2P3 trigonal bipyramid and corners with six equivalent P(1)HgBi3 trigonal pyramids.