data_Hg2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.2
_cell_length_b   7.45
_cell_length_c   5.97
_cell_angle_alpha   74.38
_cell_angle_beta   61.1
_cell_angle_gamma   44.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2C3
_chemical_formula_sum   'Hg4 C6'
_cell_volume   222.2
_cell_formula_units_Z   2
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  Hg6  1  0.19  0.29  0.01  1.0
  Hg  Hg7  1  0.19  0.29  0.79  1.0
  Hg  Hg8  1  0.46  0.86  0.71  1.0
  Hg  Hg9  1  0.46  0.86  0.49  1.0
  C  C0  1  0.73  0.74  0.3  1.0
  C  C1  1  0.73  0.12  0.3  1.0
  C  C2  1  0.46  0.41  0.6  1.0
  C  C3  1  0.46  0.31  0.6  1.0
  C  C4  1  0.73  0.43  0.3  1.0
  C  C5  1  0.0  0.0  0.0  1.0

data_Hg2C3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   7.45
_cell_angle_alpha   105.62
_cell_angle_beta   105.62
_cell_angle_gamma   109.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2C3
_chemical_formula_sum   'Hg4 C6'
_cell_volume   222.2
_cell_formula_units_Z   2
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  0.18  0.14  0.68  1.0
  Hg  Hg1  1  0.5  0.71  0.51  1.0
  Hg  Hg2  1  0.72  0.71  0.51  1.0
  Hg  Hg3  1  0.97  0.14  0.68  1.0
  C  C4  1  0.0  0.0  0.0  1.0
  C  C5  1  0.23  0.26  0.53  1.0
  C  C6  1  0.52  0.59  0.12  1.0
  C  C7  1  0.54  0.57  0.84  1.0
  C  C8  1  0.63  0.69  0.23  1.0
  C  C9  1  0.85  0.88  0.15  1.0

Hg Hg Hg Hg C C C C C C
Hg Hg Hg Hg C C C C C C 0 1 o o - 0 8 - o o 2 3 o o o 3 4 o o o 3 8 o o o 4 8 o o o 5 7 o o o 5 6 o o o 5 9 + o o 5 8 o o o 6 7 o o o 6 8 o o o 7 8 o o o 