data_KYNiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYNiHg
_chemical_formula_sum   'K1 Y1 Ni1 Hg1'
_cell_volume   90.96
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.35  0.35  0.35  1.0
  Ni  Ni2  1  0.57  0.57  0.57  1.0
  Hg  Hg0  1  0.78  0.78  0.78  1.0

data_KYNiHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KYNiHg
_chemical_formula_sum   'K3 Y3 Ni3 Hg3'
_cell_volume   272.87
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Y  Y1  3  0.0  0.0  0.65  1.0
  Ni  Ni2  3  0.0  0.0  0.43  1.0
  Hg  Hg3  3  0.0  0.0  0.22  1.0

K Y Ni Hg
KYNiHg crystallizes in the trigonal R3m space group. K(1) is bonded in a 10-coordinate geometry to three equivalent Y(1), three equivalent Ni(1), and four equivalent Hg(1) atoms. All K(1)-Y(1) bond lengths are 2.93 Å. All K(1)-Ni(1) bond lengths are 3.15 Å. There is one shorter (2.66 Å) and three longer (3.26 Å) K(1)-Hg(1) bond lengths. Y(1) is bonded in a 10-coordinate geometry to three equivalent K(1), four equivalent Ni(1), and three equivalent Hg(1) atoms. There is one shorter (2.66 Å) and three longer (3.26 Å) Y(1)-Ni(1) bond lengths. All Y(1)-Hg(1) bond lengths are 3.15 Å. Ni(1) is bonded in a 8-coordinate geometry to three equivalent K(1), four equivalent Y(1), and one Hg(1) atom. The Ni(1)-Hg(1) bond length is 2.66 Å. Hg(1) is bonded in a 1-coordinate geometry to four equivalent K(1), three equivalent Y(1), and one Ni(1) atom.