data_HgC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgC
_chemical_formula_sum   'Hg4 C4'
_cell_volume   123.29
_cell_formula_units_Z   4
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  Hg4  1  0.0  0.0  0.67  1.0
  Hg  Hg5  1  0.0  0.0  0.02  1.0
  Hg  Hg6  1  0.31  0.33  0.02  1.0
  Hg  Hg7  1  0.0  0.66  0.67  1.0
  C  C0  1  0.31  0.33  0.38  1.0
  C  C1  1  0.0  0.66  0.73  1.0
  C  C2  1  0.0  0.66  0.31  1.0
  C  C3  1  0.31  0.33  0.96  1.0

data_HgC
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgC
_chemical_formula_sum   'Hg4 C4'
_cell_volume   123.29
_cell_formula_units_Z   4
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  Hg0  1  -0.0  0.66  0.67  1.0
  Hg  Hg1  1  0.0  0.0  0.02  1.0
  Hg  Hg2  1  0.0  0.0  0.67  1.0
  Hg  Hg3  1  0.31  0.33  0.02  1.0
  C  C4  1  -0.0  0.66  0.31  1.0
  C  C5  1  -0.0  0.66  0.73  1.0
  C  C6  1  0.31  0.33  0.38  1.0
  C  C7  1  0.31  0.33  0.96  1.0

Hg Hg Hg Hg C C C C
Hg Hg Hg Hg C C C C 0 5 o - o 0 3 o - o 0 4 o o o 0 6 o - o 1 7 o o - 1 2 o o o 1 4 o o o 1 6 o - o 2 7 o o - 2 4 o o o 3 5 o o o 3 6 o o o 4 6 o o o 4 6 o - o 4 6 + o o 4 7 o o - 5 6 o o o 