data_Cu2HgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.47
_cell_angle_alpha   103.63
_cell_angle_beta   103.63
_cell_angle_gamma   40.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgPb
_chemical_formula_sum   'Cu2 Hg1 Pb1'
_cell_volume   78.78
_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
  Cu  Cu0  1  0.47  0.0  0.06  1.0
  Cu  Cu1  1  0.35  0.0  0.06  1.0
  Hg  Hg2  1  0.89  0.0  0.04  1.0
  Pb  Pb3  1  0.33  0.0  0.08  1.0

data_Cu2HgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.79
_cell_length_c   5.47
_cell_angle_alpha   103.63
_cell_angle_beta   90.0
_cell_angle_gamma   110.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgPb
_chemical_formula_sum   'Cu2 Hg1 Pb1'
_cell_volume   78.78
_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
  Cu  Cu0  1  0.0  0.53  0.94  1.0
  Cu  Cu1  1  0.0  0.65  0.94  1.0
  Hg  Hg2  1  0.0  0.11  0.96  1.0
  Pb  Pb3  1  0.0  0.67  0.92  1.0

Cu Cu Hg Pb
Cu Cu Hg Pb 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 - o o 2 3 + o o 