data_Co2HgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   21.99
_cell_angle_beta   21.99
_cell_angle_gamma   21.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2HgPb
_chemical_formula_sum   'Co2 Hg1 Pb1'
_cell_volume   71.29
_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  0.11  1.0
  Co  Co1  1  0.0  0.0  0.3  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.2  1.0

data_Co2HgPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   102.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2HgPb
_chemical_formula_sum   'Co4 Hg2 Pb2'
_cell_volume   142.57
_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  0.7  1.0
  Co  Co1  2  0.0  0.0  0.89  1.0
  Hg  Hg2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.8  1.0

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