data_CoHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   36.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Cl
_chemical_formula_sum   'Co1 Hg2 Cl1'
_cell_volume   94.06
_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  0.59  0.0  0.77  1.0
  Hg  Hg2  1  0.0  0.0  0.47  1.0
  Hg  Hg3  1  0.59  0.0  0.08  1.0
  Cl  Cl0  1  0.0  0.0  0.46  1.0

data_CoHg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.45
_cell_length_c   7.02
_cell_angle_alpha   108.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Cl
_chemical_formula_sum   'Co1 Hg2 Cl1'
_cell_volume   94.06
_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  Co0  1  0.41  0.77  0.77  1.0
  Hg  Hg1  1  0.0  0.47  0.47  1.0
  Hg  Hg2  1  0.41  0.08  0.08  1.0
  Cl  Cl3  1  0.0  0.46  0.46  1.0

Co Hg Hg Cl