data_CoHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   7.59
_cell_length_c   7.59
_cell_angle_alpha   157.16
_cell_angle_beta   149.1
_cell_angle_gamma   38.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Cl
_chemical_formula_sum   'Co1 Hg2 Cl1'
_cell_volume   87.02
_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  0.16  1.0
  Hg  Hg2  1  0.5  0.0  0.62  1.0
  Hg  Hg3  1  0.0  0.02  0.54  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CoHg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.04
_cell_length_c   7.59
_cell_angle_alpha   105.45
_cell_angle_beta   101.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Cl
_chemical_formula_sum   'Co1 Hg2 Cl1'
_cell_volume   87.02
_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  0.84  0.84  0.84  1.0
  Hg  Hg1  1  0.46  0.48  0.48  1.0
  Hg  Hg2  1  0.89  0.38  0.89  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Co Hg Hg Cl