data_CoHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgPb2
_chemical_formula_sum   'Co1 Hg1 Pb2'
_cell_volume   96.16
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.54  0.0  0.0  1.0
  Pb  Pb2  1  0.77  0.12  0.8  1.0
  Pb  Pb3  1  0.77  0.88  0.8  1.0

data_CoHgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   93.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgPb2
_chemical_formula_sum   'Co1 Hg1 Pb2'
_cell_volume   96.16
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.54  0.0  1.0
  Pb  Pb2  1  0.8  0.77  0.12  1.0
  Pb  Pb3  1  0.8  0.77  0.88  1.0

Co Hg Pb Pb
Co Hg Pb Pb 0 3 - - - 0 2 - o - 1 3 o - - 1 2 o o - 2 3 o - o 