data_FeHgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHgGe
_chemical_formula_sum   'Fe1 Hg1 Ge1'
_cell_volume   50.99
_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  Hg2  1  0.0  0.35  0.77  1.0
  Ge  Ge1  1  0.04  0.18  0.0  1.0

data_FeHgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.08
_cell_length_c   4.08
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHgGe
_chemical_formula_sum   'Fe1 Hg1 Ge1'
_cell_volume   50.99
_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  0.77  0.0  0.35  1.0
  Ge  Ge2  1  0.0  0.04  0.18  1.0

Fe Hg Ge
Fe Hg Ge 0 2 o o o 1 2 o o + 