data_FeHg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   3.9
_cell_angle_alpha   104.75
_cell_angle_beta   104.75
_cell_angle_gamma   22.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2Ge
_chemical_formula_sum   'Fe1 Hg2 Ge1'
_cell_volume   74.83
_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  0.75  0.0  0.1  1.0
  Hg  Hg3  1  0.4  0.0  0.67  1.0
  Ge  Ge1  1  0.58  0.0  0.88  1.0

data_FeHg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.9
_cell_length_c   7.22
_cell_angle_alpha   104.75
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2Ge
_chemical_formula_sum   'Fe1 Hg2 Ge1'
_cell_volume   74.83
_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  0.1  0.75  1.0
  Hg  Hg2  1  0.0  0.67  0.4  1.0
  Ge  Ge3  1  0.0  0.88  0.58  1.0

Fe Hg Hg Ge