data_FeHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58
_cell_length_b   9.58
_cell_length_c   9.58
_cell_angle_alpha   20.72
_cell_angle_beta   20.72
_cell_angle_gamma   20.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHgPb2
_chemical_formula_sum   'Fe1 Hg1 Pb2'
_cell_volume   96.42
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.06  1.0
  Pb  Pb2  1  0.0  0.0  0.51  1.0
  Pb  Pb3  1  0.0  0.0  0.61  1.0

data_FeHgPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   3.45
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   101.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeHgPb2
_chemical_formula_sum   'Fe2 Hg2 Pb4'
_cell_volume   192.83
_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
  Fe  Fe0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.94  1.0
  Pb  Pb2  2  0.0  0.0  0.39  1.0
  Pb  Pb3  2  0.0  0.0  0.49  1.0

Fe Hg Pb Pb