data_HgSb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   6.05
_cell_angle_alpha   100.36
_cell_angle_beta   100.36
_cell_angle_gamma   35.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2Pb
_chemical_formula_sum   'Hg1 Sb2 Pb1'
_cell_volume   114.13
_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
  Hg  Hg0  1  0.95  0.0  0.95  1.0
  Sb  Sb2  1  0.92  0.0  0.78  1.0
  Sb  Sb3  1  0.89  0.0  0.57  1.0
  Pb  Pb1  1  0.94  0.0  0.54  1.0

data_HgSb2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.79
_cell_length_c   6.05
_cell_angle_alpha   100.36
_cell_angle_beta   90.0
_cell_angle_gamma   107.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2Pb
_chemical_formula_sum   'Hg1 Sb2 Pb1'
_cell_volume   114.13
_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
  Hg  Hg0  1  0.0  0.05  0.05  1.0
  Sb  Sb1  1  0.0  0.08  0.22  1.0
  Sb  Sb2  1  0.0  0.11  0.43  1.0
  Pb  Pb3  1  0.0  0.06  0.46  1.0

Hg Sb Sb Pb
Hg Sb Sb Pb 0 1 o o o 2 3 o o o 