data_HgC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   2.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgC5
_chemical_formula_sum   'Hg1 C5'
_cell_volume   71.45
_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  Hg5  1  0.33  0.0  0.27  1.0
  C  C0  1  0.33  0.84  0.0  1.0
  C  C1  1  0.33  0.13  0.27  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.33  0.87  0.27  1.0
  C  C4  1  0.33  0.16  0.0  1.0

data_HgC5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   103.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgC5
_chemical_formula_sum   'Hg1 C5'
_cell_volume   71.45
_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  Hg0  1  0.27  0.33  0.0  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.33  0.16  1.0
  C  C3  1  0.0  0.33  0.84  1.0
  C  C4  1  0.27  0.33  0.13  1.0
  C  C5  1  0.27  0.33  0.87  1.0

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