data_Fe2HgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   134.57
_cell_angle_beta   134.57
_cell_angle_gamma   66.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2HgPb
_chemical_formula_sum   'Fe2 Hg1 Pb1'
_cell_volume   72.86
_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
  Fe  Fe1  1  0.03  0.0  0.2  1.0
  Hg  Hg2  1  0.0  0.0  0.41  1.0
  Pb  Pb3  1  0.0  0.03  0.2  1.0

data_Fe2HgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.26
_cell_angle_alpha   112.72
_cell_angle_beta   112.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2HgPb
_chemical_formula_sum   'Fe2 Hg1 Pb1'
_cell_volume   72.86
_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
  Fe  Fe1  1  0.2  0.17  0.17  1.0
  Hg  Hg2  1  0.41  0.41  0.41  1.0
  Pb  Pb3  1  0.17  0.2  0.17  1.0

Fe Fe Hg Pb
Fe Fe Hg Pb 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 