data_CoHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   7.22
_cell_angle_alpha   154.31
_cell_angle_beta   144.0
_cell_angle_gamma   44.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgPb2
_chemical_formula_sum   'Co1 Hg1 Pb2'
_cell_volume   95.51
_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  0.72  1.0
  Hg  Hg1  1  0.6  0.0  0.28  1.0
  Pb  Pb2  1  0.0  0.0  0.25  1.0
  Pb  Pb3  1  0.0  0.23  0.45  1.0

data_CoHgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.46
_cell_length_c   7.22
_cell_angle_alpha   108.0
_cell_angle_beta   102.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgPb2
_chemical_formula_sum   'Co1 Hg1 Pb2'
_cell_volume   95.51
_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  0.72  0.72  1.0
  Hg  Hg1  1  0.0  0.28  0.68  1.0
  Pb  Pb2  1  0.0  0.25  0.25  1.0
  Pb  Pb3  1  0.77  0.22  0.22  1.0

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