data_SnHg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   5.47
_cell_angle_alpha   114.37
_cell_angle_beta   114.37
_cell_angle_gamma   31.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Ge
_chemical_formula_sum   'Sn1 Hg2 Ge1'
_cell_volume   98.57
_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
  Sn  Sn3  1  0.75  0.0  0.47  1.0
  Hg  Hg1  1  0.34  0.0  0.78  1.0
  Hg  Hg2  1  0.15  0.0  0.17  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_SnHg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.47
_cell_length_c   6.15
_cell_angle_alpha   114.37
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Ge
_chemical_formula_sum   'Sn1 Hg2 Ge1'
_cell_volume   98.57
_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
  Sn  Sn0  1  0.0  0.47  0.75  1.0
  Hg  Hg1  1  0.0  0.17  0.15  1.0
  Hg  Hg2  1  0.0  0.78  0.34  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Sn Hg Hg Ge