data_CoHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05
_cell_length_b   8.05
_cell_length_c   8.05
_cell_angle_alpha   25.27
_cell_angle_beta   25.27
_cell_angle_gamma   25.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Cl
_chemical_formula_sum   'Co1 Hg2 Cl1'
_cell_volume   83.74
_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
  Co  Co1  1  0.0  0.0  0.69  1.0
  Hg  Hg2  1  0.0  0.0  0.61  1.0
  Hg  Hg3  1  0.0  0.0  0.77  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CoHg2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.1
_cell_length_b   3.52
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   104.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoHg2Cl
_chemical_formula_sum   'Co2 Hg4 Cl2'
_cell_volume   167.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Co  Co0  2  -0.0  0.0  0.31  1.0
  Hg  Hg1  2  -0.0  0.0  0.39  1.0
  Hg  Hg2  2  -0.0  0.0  0.23  1.0
  Cl  Cl3  2  -0.0  0.0  0.0  1.0

Co Hg Hg Cl
Co Hg Hg Cl 0 1 o o o 0 2 o o o 2 3 o o + 